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

345
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 207.6
[M+Na]+ 421.32882 211.9
[M+NH4]+ 416.37342 207.3
[M+K]+ 437.30276 206.3
[M-H]- 397.33232 195.5
[M+Na-2H]- 419.31427 204.4
[M]+ 398.33905 206.3
[M]- 398.34015 206.3
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