CID 10888002

5726-56-7

Structural Information

Molecular Formula

C₈H₁₂O₂

SMILES

CC1CCCC=C1C(=O)O

InChI

InChI=1S/C8H12O2/c1-6-4-2-3-5-7(6)8(9)10/h5-6H,2-4H2,1H3,(H,9,10)

InChIKey

DCXQIBDJDGKXQL-UHFFFAOYSA-N

Compound name

6-methylcyclohexene-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 140.08372 Da
Monoisotopic Mass: 2.0
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	128.9
[M+Na]+	163.07294	139.9
[M+NH4]+	158.11754	137.3
[M+K]+	179.04688	134.7
[M-H]-	139.07644	130.1
[M+Na-2H]-	161.05839	133.9
[M]+	140.08317	130.6
[M]-	140.08427	130.6

Literature stripe

literature stripe

Patent stripe

patents stripe