CID 185606

27334-43-6

Structural Information

Molecular Formula

C₁₁H₂₀O₂

SMILES

CC(C)(C)C1(CCCCC1)C(=O)O

InChI

InChI=1S/C11H20O2/c1-10(2,3)11(9(12)13)7-5-4-6-8-11/h4-8H2,1-3H3,(H,12,13)

InChIKey

NPRFVBVVQXZPOO-UHFFFAOYSA-N

Compound name

1-tert-butylcyclohexane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 461
Patents: 184.14633 Da
Monoisotopic Mass: 3.4
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]+	185.15361	144.0
[M+Na]+	207.13555	152.9
[M+NH4]+	202.18015	153.1
[M+K]+	223.10949	146.6
[M-H]-	183.13905	144.2
[M+Na-2H]-	205.12100	149.1
[M]+	184.14578	145.3
[M]-	184.14688	145.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe