CID 129994084

Methyl 2-(chloromethyl)cyclohexane-1-carboxylate

Structural Information

Molecular Formula
C9H15ClO2
SMILES
COC(=O)C1CCCCC1CCl
InChI
InChI=1S/C9H15ClO2/c1-12-9(11)8-5-3-2-4-7(8)6-10/h7-8H,2-6H2,1H3
InChIKey
OLIXVSJKZAIFGZ-UHFFFAOYSA-N
Compound name
methyl 2-(chloromethyl)cyclohexane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.07605 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.083326 140.3
[M+Na]+ 213.065268 146.5
[M-H]- 189.068774 143.2
[M+NH4]+ 208.109873 160.8
[M+K]+ 229.039208 144.1
[M+H-H2O]+ 173.073310 135.8
[M+HCOO]- 235.074251 155.7
[M+CH3COO]- 249.089901 180.7
[M+Na-2H]- 211.050716 143.2
[M]+ 190.07550142 139.7
[M]- 190.07659858 139.7
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.