CID 217396

38792-88-0

Structural Information

Molecular Formula

C₁₁H₂₀O₂

SMILES

CC(C)CC1CCC(CC1)C(=O)O

InChI

InChI=1S/C11H20O2/c1-8(2)7-9-3-5-10(6-4-9)11(12)13/h8-10H,3-7H2,1-2H3,(H,12,13)

InChIKey

NFJJRCCYQXONBL-UHFFFAOYSA-N

Compound name

4-(2-methylpropyl)cyclohexane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 63
Patents: 184.14633 Da
Monoisotopic Mass: 3.5
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]+	185.153606	144.2
[M+Na]+	207.135548	147.9
[M-H]-	183.139054	145.4
[M+NH4]+	202.180153	163.2
[M+K]+	223.109488	146.7
[M+H-H2O]+	167.143590	138.9
[M+HCOO]-	229.144531	160.8
[M+CH3COO]-	243.160181	181.9
[M+Na-2H]-	205.120996	144.7
[M]+	184.14578142	139.9
[M]-	184.14687858	139.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe