CID 8090

Butyl palmitate

Structural Information

Molecular Formula

C₂₀H₄₀O₂

SMILES

CCCCCCCCCCCCCCCC(=O)OCCCC

InChI

InChI=1S/C20H40O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-20(21)22-19-6-4-2/h3-19H2,1-2H3

InChIKey

GLYJVQDYLFAUFC-UHFFFAOYSA-N

Compound name

butyl hexadecanoate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 2
References: 3209
Patents: 312.30283 Da
Monoisotopic Mass: 8.7
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]+	313.31011	185.5
[M+Na]+	335.29205	193.0
[M+NH4]+	330.33665	191.0
[M+K]+	351.26599	184.4
[M-H]-	311.29555	184.1
[M+Na-2H]-	333.27750	185.6
[M]+	312.30228	185.8
[M]-	312.30338	185.8

Literature stripe

literature stripe

Patent stripe

patents stripe