CID 16731397

Hexyl isooctadecanoate

Structural Information

Molecular Formula

C₂₄H₄₈O₂

SMILES

CCCCCCOC(=O)CCCCCCCCCCCCCCC(C)C

InChI

InChI=1S/C24H48O2/c1-4-5-6-19-22-26-24(25)21-18-16-14-12-10-8-7-9-11-13-15-17-20-23(2)3/h23H,4-22H2,1-3H3

InChIKey

FPMPNVIMFPEKRN-UHFFFAOYSA-N

Compound name

hexyl 16-methylheptadecanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2635
Patents: 368.36542 Da
Monoisotopic Mass: 10.6
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	202.9
[M+Na]+	391.35464	209.3
[M+NH4]+	386.39924	207.6
[M+K]+	407.32858	200.6
[M-H]-	367.35814	201.1
[M+Na-2H]-	389.34009	201.7
[M]+	368.36487	203.0
[M]-	368.36597	203.0

Literature stripe

literature stripe

Patent stripe

patents stripe