CID 20350

4-methyl-3-cyclohexene-1-carboxylic acid

Structural Information

Molecular Formula
C8H12O2
SMILES
CC1=CCC(CC1)C(=O)O
InChI
InChI=1S/C8H12O2/c1-6-2-4-7(5-3-6)8(9)10/h2,7H,3-5H2,1H3,(H,9,10)
InChIKey
OYOQOLNBTPTFEM-UHFFFAOYSA-N
Compound name
4-methylcyclohex-3-ene-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

737
Patents

140.08372 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.09100 128.3
[M+Na]+ 163.07294 134.6
[M-H]- 139.07644 130.4
[M+NH4]+ 158.11754 149.2
[M+K]+ 179.04688 133.4
[M+H-H2O]+ 123.08098 123.4
[M+HCOO]- 185.08192 148.4
[M+CH3COO]- 199.09757 171.5
[M+Na-2H]- 161.05839 132.7
[M]+ 140.08317 125.0
[M]- 140.08427 125.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.