CID 9859016

Furfuryl palmitate

Structural Information

Molecular Formula

C₂₁H₃₆O₃

SMILES

CCCCCCCCCCCCCCCC(=O)OCC1=CC=CO1

InChI

InChI=1S/C21H36O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-21(22)24-19-20-16-15-18-23-20/h15-16,18H,2-14,17,19H2,1H3

InChIKey

SLLQRHYFOLOLLS-UHFFFAOYSA-N

Compound name

furan-2-ylmethyl hexadecanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 77
Patents: 336.26645 Da
Monoisotopic Mass: 8.0
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]+	337.27373	189.3
[M+Na]+	359.25567	197.4
[M+NH4]+	354.30027	194.9
[M+K]+	375.22961	191.3
[M-H]-	335.25917	190.5
[M+Na-2H]-	357.24112	190.6
[M]+	336.26590	190.5
[M]-	336.26700	190.5

Literature stripe

literature stripe

Patent stripe

patents stripe