CID 5312416

(z)-13-hexadecenoic acid

Structural Information

Molecular Formula

C₁₆H₃₀O₂

SMILES

CC/C=C\CCCCCCCCCCCC(=O)O

InChI

InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h3-4H,2,5-15H2,1H3,(H,17,18)/b4-3-

InChIKey

UFRASUJYZLLIJC-ARJAWSKDSA-N

Compound name

(Z)-hexadec-13-enoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 48
Patents: 254.22458 Da
Monoisotopic Mass: 6.1
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]+	255.23186	167.7
[M+Na]+	277.21380	175.5
[M+NH4]+	272.25840	173.3
[M+K]+	293.18774	168.2
[M-H]-	253.21730	165.7
[M+Na-2H]-	275.19925	168.1
[M]+	254.22403	167.9
[M]-	254.22513	167.9

Literature stripe

literature stripe

Patent stripe

patents stripe