CID 11848103

Chloromethyl 2-cyclohexylacetate

Structural Information

Molecular Formula
C9H15ClO2
SMILES
C1CCC(CC1)CC(=O)OCCl
InChI
InChI=1S/C9H15ClO2/c10-7-12-9(11)6-8-4-2-1-3-5-8/h8H,1-7H2
InChIKey
AKJJZVNFZRSROB-UHFFFAOYSA-N
Compound name
chloromethyl 2-cyclohexylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

85
Patents

190.07605 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.08333 141.1
[M+Na]+ 213.06527 146.3
[M-H]- 189.06877 143.5
[M+NH4]+ 208.10987 161.2
[M+K]+ 229.03921 143.9
[M+H-H2O]+ 173.07331 136.3
[M+HCOO]- 235.07425 156.5
[M+CH3COO]- 249.08990 179.6
[M+Na-2H]- 211.05072 144.6
[M]+ 190.07550 140.1
[M]- 190.07660 140.1
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