CID 70695652

Ethoxcare ms-40

Structural Information

Molecular Formula
C118H236O52
SMILES
CCCCCCCCCCCCCCCCCC(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO
InChI
InChI=1S/C118H236O52/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-118(120)170-117-116-169-115-114-168-113-112-167-111-110-166-109-108-165-107-106-164-105-104-163-103-102-162-101-100-161-99-98-160-97-96-159-95-94-158-93-92-157-91-90-156-89-88-155-87-86-154-85-84-153-83-82-152-81-80-151-79-78-150-77-76-149-75-74-148-73-72-147-71-70-146-69-68-145-67-66-144-65-64-143-63-62-142-61-60-141-59-58-140-57-56-139-55-54-138-53-52-137-51-50-136-49-48-135-47-46-134-45-44-133-43-42-132-41-40-131-39-38-130-37-36-129-35-34-128-33-32-127-31-30-126-29-28-125-27-26-124-25-24-123-23-22-122-21-20-121-19-18-119/h119H,2-117H2,1H3
InChIKey
OIALAIQRYISUEV-UHFFFAOYSA-N
Compound name
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl octadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6255
Patents

2485.5823 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 2486.589576 440.6
[M+Na]+ 2508.571518 432.7
[M-H]- 2484.575024 438.5
[M+NH4]+ 2503.616123 434.7
[M+K]+ 2524.545458 421.5
[M+H-H2O]+ 2468.579560 428.8
[M+HCOO]- 2530.580501 432.2
[M+CH3COO]- 2544.596151 353.3
[M+Na-2H]- 2506.556966 452.7
[M]+ 2485.58175142 411.1
[M]- 2485.58284858 411.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.