CID 5365040

Arachidyl palmitoleate

Structural Information

Molecular Formula

SMILES

CCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCC/C=C\CCCCCC

InChI

InChI=1S/C36H70O2/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-25-27-29-31-33-35-38-36(37)34-32-30-28-26-24-22-16-14-12-10-8-6-4-2/h14,16H,3-13,15,17-35H2,1-2H3/b16-14-

InChIKey

FIETWBRPSYJUOM-PEZBUJJGSA-N

Compound name

icosyl (Z)-hexadec-9-enoate

Related CIDs

2D Structure

2
Annotation Hits: 0
References: 9
Patents: 534.5376 Da
Monoisotopic Mass: 16.4
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]+	535.54488	251.9
[M+Na]+	557.52682	257.9
[M-H]-	533.53032	232.9
[M+NH4]+	552.57142	250.6
[M+K]+	573.50076	258.6
[M+H-H2O]+	517.53486	251.4
[M+HCOO]-	579.53580	259.8
[M+CH3COO]-	593.55145	257.3
[M+Na-2H]-	555.51227	236.0
[M]+	534.53705	252.5
[M]-	534.53815	252.5

Literature stripe

Patent stripe