CID 1712162

1126675-09-9

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

2
Annotation Hits: 2
References: 95
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]+	267.231856	168.5
[M+Na]+	289.213798	169.0
[M-H]-	265.217304	171.4
[M+NH4]+	284.258403	183.7
[M+K]+	305.187738	165.7
[M+H-H2O]+	249.221840	161.3
[M+HCOO]-	311.222781	181.2
[M+CH3COO]-	325.238431	197.1
[M+Na-2H]-	287.199246	165.8
[M]+	266.22403142	160.4
[M]-	266.22512858	160.4

Literature stripe

literature stripe

Patent stripe

patents stripe