CID 1712162

89111-63-7

Structural Information

Molecular Formula

C₁₇H₃₀O₂

SMILES

CCCCC1CCC(CC1)C2CCC(CC2)C(=O)O

InChI

InChI=1S/C17H30O2/c1-2-3-4-13-5-7-14(8-6-13)15-9-11-16(12-10-15)17(18)19/h13-16H,2-12H2,1H3,(H,18,19)

InChIKey

XYKCCZSKCZRZST-UHFFFAOYSA-N

Compound name

4-(4-butylcyclohexyl)cyclohexane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 57
Patents: 266.22458 Da
Monoisotopic Mass: 6.2
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]+	267.23186	168.5
[M+Na]+	289.21380	177.2
[M+NH4]+	284.25840	176.4
[M+K]+	305.18774	170.4
[M-H]-	265.21730	171.5
[M+Na-2H]-	287.19925	171.5
[M]+	266.22403	170.2
[M]-	266.22513	170.2

Literature stripe

literature stripe

Patent stripe

patents stripe