CID 70695652

Polyoxyl(40)stearate

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
3
Annotation Hits

0
References

7145
Patents

2485.5823 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 2486.5896 440.6
[M+Na]+ 2508.5715 432.7
[M-H]- 2484.5750 438.5
[M+NH4]+ 2503.6161 434.7
[M+K]+ 2524.5455 421.5
[M+H-H2O]+ 2468.5796 428.8
[M+HCOO]- 2530.5805 432.2
[M+CH3COO]- 2544.5962 353.3
[M+Na-2H]- 2506.5570 452.7
[M]+ 2485.5818 411.1
[M]- 2485.5828 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

patents stripe