CID 6437194

Neopentyl glycol oleate

Structural Information

Molecular Formula
C23H44O3
SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)OCC(C)(C)CO
InChI
InChI=1S/C23H44O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)26-21-23(2,3)20-24/h11-12,24H,4-10,13-21H2,1-3H3/b12-11-
InChIKey
VVEKMBGQZPFARL-QXMHVHEDSA-N
Compound name
(3-hydroxy-2,2-dimethylpropyl) (Z)-octadec-9-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

148
Patents

368.32904 Da
Monoisotopic Mass

8.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.33632 200.5
[M+Na]+ 391.31826 206.1
[M+NH4]+ 386.36286 202.3
[M+K]+ 407.29220 198.9
[M-H]- 367.32176 196.9
[M+Na-2H]- 389.30371 198.6
[M]+ 368.32849 199.9
[M]- 368.32959 199.9
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

patents stripe