CID 5354172

Propylene glycol ricinoleate

Structural Information

Molecular Formula
C21H40O4
SMILES
CCCCCC[C@H](C/C=C\CCCCCCCC(=O)OCC(C)O)O
InChI
InChI=1S/C21H40O4/c1-3-4-5-12-15-20(23)16-13-10-8-6-7-9-11-14-17-21(24)25-18-19(2)22/h10,13,19-20,22-23H,3-9,11-12,14-18H2,1-2H3/b13-10-/t19?,20-/m1/s1
InChIKey
JZSMZIOJUHECHW-GTJZZHROSA-N
Compound name
2-hydroxypropyl (Z,12R)-12-hydroxyoctadec-9-enoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

5079
Patents

356.29266 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.299936 198.5
[M+Na]+ 379.281878 198.5
[M-H]- 355.285384 193.3
[M+NH4]+ 374.326483 209.9
[M+K]+ 395.255818 194.9
[M+H-H2O]+ 339.289920 191.5
[M+HCOO]- 401.290861 212.7
[M+CH3COO]- 415.306511 214.1
[M+Na-2H]- 377.267326 192.9
[M]+ 356.29211142 203.9
[M]- 356.29320858 203.9
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

No patent data available for this compound.