CID 14831547

4-methylidenecyclohexane-1-carboxylic acid

Structural Information

Molecular Formula

C₈H₁₂O₂

SMILES

C=C1CCC(CC1)C(=O)O

InChI

InChI=1S/C8H12O2/c1-6-2-4-7(5-3-6)8(9)10/h7H,1-5H2,(H,9,10)

InChIKey

DENSHBNKGSMOIU-UHFFFAOYSA-N

Compound name

4-methylidenecyclohexane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 110
Patents: 140.08372 Da
Monoisotopic Mass: 1.2
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]+	141.09100	130.0
[M+Na]+	163.07294	140.1
[M+NH4]+	158.11754	138.1
[M+K]+	179.04688	134.9
[M-H]-	139.07644	130.7
[M+Na-2H]-	161.05839	134.0
[M]+	140.08317	131.3
[M]-	140.08427	131.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe