CID 6437341

Trimethylolpropane monooleate

Structural Information

Molecular Formula
C24H46O4
SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)OCC(CC)(CO)CO
InChI
InChI=1S/C24H46O4/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(27)28-22-24(4-2,20-25)21-26/h11-12,25-26H,3-10,13-22H2,1-2H3/b12-11-
InChIKey
WAZOXQOFCQKLFT-QXMHVHEDSA-N
Compound name
2,2-bis(hydroxymethyl)butyl (Z)-octadec-9-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

760
Patents

398.3396 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.34688 210.3
[M+Na]+ 421.32882 209.9
[M-H]- 397.33232 204.7
[M+NH4]+ 416.37342 204.5
[M+K]+ 437.30276 205.0
[M+H-H2O]+ 381.33686 203.2
[M+HCOO]- 443.33780 217.3
[M+CH3COO]- 457.35345 221.7
[M+Na-2H]- 419.31427 206.7
[M]+ 398.33905 217.7
[M]- 398.34015 217.7
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