CID 22321485

Peg-12 monoricinoleate

Structural Information

Molecular Formula
C21H40O3
SMILES
CCCCCCC(C/C=C/CCCCCCCC(=O)OCCC)O
InChI
InChI=1S/C21H40O3/c1-3-5-6-13-16-20(22)17-14-11-9-7-8-10-12-15-18-21(23)24-19-4-2/h11,14,20,22H,3-10,12-13,15-19H2,1-2H3/b14-11+
InChIKey
SFPNSCZLRJDTGT-SDNWHVSQSA-N
Compound name
propyl (E)-12-hydroxyoctadec-9-enoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

218
Patents

340.29776 Da
Monoisotopic Mass

7.0
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