CID 192796

Omega-cyclohexylundecanoic acid

Structural Information

Molecular Formula

C₁₇H₃₂O₂

SMILES

C1CCC(CC1)CCCCCCCCCCC(=O)O

InChI

InChI=1S/C17H32O2/c18-17(19)15-11-6-4-2-1-3-5-8-12-16-13-9-7-10-14-16/h16H,1-15H2,(H,18,19)

InChIKey

WFTPSUGFEZHCGU-UHFFFAOYSA-N

Compound name

11-cyclohexylundecanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 96
Patents: 268.24023 Da
Monoisotopic Mass: 7.2
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]+	269.247506	172.0
[M+Na]+	291.229448	172.4
[M-H]-	267.232954	171.5
[M+NH4]+	286.274053	187.2
[M+K]+	307.203388	169.1
[M+H-H2O]+	251.237490	165.0
[M+HCOO]-	313.238431	187.6
[M+CH3COO]-	327.254081	197.9
[M+Na-2H]-	289.214896	171.1
[M]+	268.23968142	170.1
[M]-	268.24077858	170.1

Literature stripe

literature stripe

Patent stripe

patents stripe