CID 85651

Octyl palmitate

Structural Information

Molecular Formula

C₂₄H₄₈O₂

SMILES

CCCCCCCCCCCCCCCC(=O)OCCCCCCCC

InChI

InChI=1S/C24H48O2/c1-3-5-7-9-11-12-13-14-15-16-17-18-20-22-24(25)26-23-21-19-10-8-6-4-2/h3-23H2,1-2H3

InChIKey

OQILCOQZDHPEAZ-UHFFFAOYSA-N

Compound name

octyl hexadecanoate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 9
References: 32901
Patents: 368.36542 Da
Monoisotopic Mass: 10.9
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]+	369.37270	202.8
[M+Na]+	391.35464	209.5
[M+NH4]+	386.39924	207.7
[M+K]+	407.32858	200.1
[M-H]-	367.35814	201.2
[M+Na-2H]-	389.34009	201.9
[M]+	368.36487	203.0
[M]-	368.36597	203.0

Literature stripe

literature stripe

Patent stripe

patents stripe