CID 56936023

Oleyl isobutyrate

Structural Information

Molecular Formula
C23H44O2
SMILES
CCCCCCCC/C=C\CCCCCCCCOC(=O)C(C)CC
InChI
InChI=1S/C23H44O2/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-23(24)22(3)5-2/h12-13,22H,4-11,14-21H2,1-3H3/b13-12-
InChIKey
VQGFLDJIMXABEX-SEYXRHQNSA-N
Compound name
[(Z)-octadec-9-enyl] 2-methylbutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

352.33414 Da
Monoisotopic Mass

9.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.34142 200.8
[M+Na]+ 375.32336 201.3
[M-H]- 351.32686 198.1
[M+NH4]+ 370.36796 214.0
[M+K]+ 391.29730 197.2
[M+H-H2O]+ 335.33140 193.3
[M+HCOO]- 397.33234 217.9
[M+CH3COO]- 411.34799 220.6
[M+Na-2H]- 373.30881 196.3
[M]+ 352.33359 208.6
[M]- 352.33469 208.6
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