CID 9798043

2-hydroxypropyl oleate

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-KHPPLWFESA-N
Compound name
2-hydroxypropyl (Z)-octadec-9-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8288
Patents

340.29776 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.30504 195.1
[M+Na]+ 363.28698 195.8
[M-H]- 339.29048 191.3
[M+NH4]+ 358.33158 208.0
[M+K]+ 379.26092 192.0
[M+H-H2O]+ 323.29502 188.0
[M+HCOO]- 385.29596 211.5
[M+CH3COO]- 399.31161 213.9
[M+Na-2H]- 361.27243 191.1
[M]+ 340.29721 201.6
[M]- 340.29831 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