CID 6436361

Isobutyl oleate

Structural Information

Molecular Formula
C22H42O2
SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)OCC(C)C
InChI
InChI=1S/C22H42O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(23)24-20-21(2)3/h11-12,21H,4-10,13-20H2,1-3H3/b12-11-
InChIKey
GXJLQJFVFMCVHG-QXMHVHEDSA-N
Compound name
2-methylpropyl (Z)-octadec-9-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1332
Patents

338.31848 Da
Monoisotopic Mass

8.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.32576 193.6
[M+Na]+ 361.30770 200.4
[M+NH4]+ 356.35230 198.4
[M+K]+ 377.28164 192.1
[M-H]- 337.31120 191.6
[M+Na-2H]- 359.29315 192.7
[M]+ 338.31793 193.6
[M]- 338.31903 193.6
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