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]+ 191.08333 139.1
[M+Na]+ 213.06527 150.3
[M+NH4]+ 208.10987 147.9
[M+K]+ 229.03921 144.0
[M-H]- 189.06877 140.6
[M+Na-2H]- 211.05072 143.8
[M]+ 190.07550 141.2
[M]- 190.07660 141.2
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.