CID 9884386

Oleyl lactate

Structural Information

Molecular Formula
C21H40O3
SMILES
CCCCCCCC/C=C\CCCCCCCCOC(=O)C(C)O
InChI
InChI=1S/C21H40O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-21(23)20(2)22/h10-11,20,22H,3-9,12-19H2,1-2H3/b11-10-
InChIKey
VKPCTXYZANSYRP-KHPPLWFESA-N
Compound name
[(Z)-octadec-9-enyl] 2-hydroxypropanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

1357
Patents

340.29776 Da
Monoisotopic Mass

7.8
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

literature stripe

Patent stripe

patents stripe