CID 43154595

2-chloro-5-methylcyclohex-1-ene-1-carboxylic acid

Structural Information

Molecular Formula
C8H11ClO2
SMILES
CC1CCC(=C(C1)C(=O)O)Cl
InChI
InChI=1S/C8H11ClO2/c1-5-2-3-7(9)6(4-5)8(10)11/h5H,2-4H2,1H3,(H,10,11)
InChIKey
XXIXGILTWJTYND-UHFFFAOYSA-N
Compound name
2-chloro-5-methylcyclohexene-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

174.04475 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.05203 133.2
[M+Na]+ 197.03397 141.2
[M-H]- 173.03747 135.5
[M+NH4]+ 192.07857 153.9
[M+K]+ 213.00791 138.0
[M+H-H2O]+ 157.04201 129.5
[M+HCOO]- 219.04295 148.8
[M+CH3COO]- 233.05860 176.5
[M+Na-2H]- 195.01942 136.5
[M]+ 174.04420 132.3
[M]- 174.04530 132.3
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.