CID 74288

Cyclohexyl palmitate

Structural Information

Molecular Formula

C₂₂H₄₂O₂

SMILES

CCCCCCCCCCCCCCCC(=O)OC1CCCCC1

InChI

InChI=1S/C22H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-22(23)24-21-18-15-14-16-19-21/h21H,2-20H2,1H3

InChIKey

BMZOQYYROAVSAP-UHFFFAOYSA-N

Compound name

cyclohexyl hexadecanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 291
Patents: 338.31848 Da
Monoisotopic Mass: 9.3
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]+	339.325756	194.2
[M+Na]+	361.307698	193.0
[M-H]-	337.311204	194.1
[M+NH4]+	356.352303	207.4
[M+K]+	377.281638	189.3
[M+H-H2O]+	321.315740	186.0
[M+HCOO]-	383.316681	209.6
[M+CH3COO]-	397.332331	214.8
[M+Na-2H]-	359.293146	191.1
[M]+	338.31793142	196.0
[M]-	338.31902858	196.0

Literature stripe

literature stripe

Patent stripe

patents stripe