CID 17802538

1-(chloromethyl)cyclohexane-1-carboxylic acid

Structural Information

Molecular Formula
C8H13ClO2
SMILES
C1CCC(CC1)(CCl)C(=O)O
InChI
InChI=1S/C8H13ClO2/c9-6-8(7(10)11)4-2-1-3-5-8/h1-6H2,(H,10,11)
InChIKey
GVFCZGHLORJTCP-UHFFFAOYSA-N
Compound name
1-(chloromethyl)cyclohexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

176.06041 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.067686 136.1
[M+Na]+ 199.049628 142.1
[M-H]- 175.053134 137.7
[M+NH4]+ 194.094233 158.1
[M+K]+ 215.023568 139.3
[M+H-H2O]+ 159.057670 132.8
[M+HCOO]- 221.058611 150.3
[M+CH3COO]- 235.074261 174.2
[M+Na-2H]- 197.035076 140.9
[M]+ 176.05986142 133.3
[M]- 176.06095858 133.3
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

patents stripe