CID 6436499

Oleyl laurate

Structural Information

Molecular Formula

C₃₀H₅₈O₂

SMILES

CCCCCCCCCCCC(=O)OCCCCCCCC/C=C\CCCCCCCC

InChI

InChI=1S/C30H58O2/c1-3-5-7-9-11-13-14-15-16-17-18-19-21-23-25-27-29-32-30(31)28-26-24-22-20-12-10-8-6-4-2/h15-16H,3-14,17-29H2,1-2H3/b16-15-

InChIKey

UGHVFDVVZRNMHY-NXVVXOECSA-N

Compound name

[(Z)-octadec-9-enyl] dodecanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 653
Patents: 450.4437 Da
Monoisotopic Mass: 13.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	451.45098	230.3
[M+Na]+	473.43292	228.0
[M-H]-	449.43642	214.0
[M+NH4]+	468.47752	229.5
[M+K]+	489.40686	221.7
[M+H-H2O]+	433.44096	221.4
[M+HCOO]-	495.44190	240.8
[M+CH3COO]-	509.45755	240.2
[M+Na-2H]-	471.41837	223.4
[M]+	450.44315	231.8
[M]-	450.44425	231.8

Literature stripe

literature stripe

Patent stripe

patents stripe