CID 96206

2-cyclohexylideneacetic acid

Structural Information

Molecular Formula

C₈H₁₂O₂

SMILES

C1CCC(=CC(=O)O)CC1

InChI

InChI=1S/C8H12O2/c9-8(10)6-7-4-2-1-3-5-7/h6H,1-5H2,(H,9,10)

InChIKey

UKYISVNNIPKTNG-UHFFFAOYSA-N

Compound name

2-cyclohexylideneacetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 140
Patents: 140.08372 Da
Monoisotopic Mass: 1.8
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	134.6
[M-H]-	139.07644	131.4
[M+NH4]+	158.11754	150.4
[M+K]+	179.04688	133.0
[M+H-H2O]+	123.08098	124.9
[M+HCOO]-	185.08192	148.8
[M+CH3COO]-	199.09757	169.2
[M+Na-2H]-	161.05839	134.0
[M]+	140.08317	124.1
[M]-	140.08427	124.1

Literature stripe

literature stripe

Patent stripe

patents stripe