CID 14831547

934-69-0

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: 116
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]+	141.090996	128.9
[M+Na]+	163.072938	134.4
[M-H]-	139.076444	130.6
[M+NH4]+	158.117543	149.6
[M+K]+	179.046878	132.9
[M+H-H2O]+	123.080980	124.1
[M+HCOO]-	185.081921	147.7
[M+CH3COO]-	199.097571	171.0
[M+Na-2H]-	161.058386	132.3
[M]+	140.08317142	123.4
[M]-	140.08426858	123.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe