CID 53436562

50807-33-5

Structural Information

Molecular Formula
C40H80O3
SMILES
CCCCCCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCCCCO
InChI
InChI=1S/C40H80O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-19-22-25-28-31-34-37-40(42)43-39-36-33-30-27-24-21-18-15-14-17-20-23-26-29-32-35-38-41/h41H,2-39H2,1H3
InChIKey
OHGJCOVCKYXZKQ-UHFFFAOYSA-N
Compound name
18-hydroxyoctadecyl docosanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

608.6107 Da
Monoisotopic Mass

17.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 609.61798 269.3
[M+Na]+ 631.59992 272.4
[M-H]- 607.60342 248.3
[M+NH4]+ 626.64452 266.0
[M+K]+ 647.57386 275.3
[M+H-H2O]+ 591.60796 267.3
[M+HCOO]- 653.60890 273.2
[M+CH3COO]- 667.62455 268.8
[M+Na-2H]- 629.58537 250.0
[M]+ 608.61015 268.4
[M]- 608.61125 268.4
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