CID 5312300

7-methyl-6-hexadecenoic acid

Structural Information

Molecular Formula

C₁₇H₃₂O₂

SMILES

CCCCCCCCC/C(=C/CCCCC(=O)O)/C

InChI

InChI=1S/C17H32O2/c1-3-4-5-6-7-8-10-13-16(2)14-11-9-12-15-17(18)19/h14H,3-13,15H2,1-2H3,(H,18,19)/b16-14+

InChIKey

DINXWFVSXJCVPK-JQIJEIRASA-N

Compound name

(E)-7-methylhexadec-6-enoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 11
Patents: 268.24023 Da
Monoisotopic Mass: 6.8
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]+	269.24751	174.0
[M+Na]+	291.22945	176.5
[M-H]-	267.23295	171.1
[M+NH4]+	286.27405	189.9
[M+K]+	307.20339	173.1
[M+H-H2O]+	251.23749	167.9
[M+HCOO]-	313.23843	191.6
[M+CH3COO]-	327.25408	200.8
[M+Na-2H]-	289.21490	172.2
[M]+	268.23968	177.7
[M]-	268.24078	177.7

Literature stripe

literature stripe

Patent stripe

patents stripe