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
2
Annotation Hits

1
References

1169
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 192.5
[M+Na]+ 363.28698 198.4
[M+NH4]+ 358.33158 196.4
[M+K]+ 379.26092 191.2
[M-H]- 339.29048 189.4
[M+Na-2H]- 361.27243 190.7
[M]+ 340.29721 191.9
[M]- 340.29831 191.9
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