CID 6433267

Oleic acid, monoester with propane-1,2-diol

Structural Information

Molecular Formula
C21H40O3
SMILES
CCCCCCCC/C=C/CCCCCCCC(=O)OCC(C)O
InChI
InChI=1S/C21H40O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(23)24-19-20(2)22/h10-11,20,22H,3-9,12-19H2,1-2H3/b11-10+
InChIKey
ZVTDEEBSWIQAFJ-ZHACJKMWSA-N
Compound name
2-hydroxypropyl (E)-octadec-9-enoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

8087
Patents

340.29776 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.305036 195.1
[M+Na]+ 363.286978 195.8
[M-H]- 339.290484 191.3
[M+NH4]+ 358.331583 208.0
[M+K]+ 379.260918 192.0
[M+H-H2O]+ 323.295020 188.0
[M+HCOO]- 385.295961 211.5
[M+CH3COO]- 399.311611 213.9
[M+Na-2H]- 361.272426 191.1
[M]+ 340.29721142 201.6
[M]- 340.29830858 201.6
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