CID 165766577

2757961-52-5

Structural Information

Molecular Formula
C10H15ClO3
SMILES
COC(=O)C1CCC(CC1)C(=O)CCl
InChI
InChI=1S/C10H15ClO3/c1-14-10(13)8-4-2-7(3-5-8)9(12)6-11/h7-8H,2-6H2,1H3
InChIKey
RAXLTUMNDYEANG-UHFFFAOYSA-N
Compound name
methyl 4-(2-chloroacetyl)cyclohexane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.07097 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.07825 145.9
[M+Na]+ 241.06019 151.6
[M-H]- 217.06369 148.7
[M+NH4]+ 236.10479 165.1
[M+K]+ 257.03413 149.4
[M+H-H2O]+ 201.06823 141.3
[M+HCOO]- 263.06917 160.4
[M+CH3COO]- 277.08482 185.8
[M+Na-2H]- 239.04564 147.2
[M]+ 218.07042 145.9
[M]- 218.07152 145.9
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.