CID 3538558

N-(2-chloroacetyl)cyclohexanecarboxamide

Structural Information

Molecular Formula
C9H14ClNO2
SMILES
C1CCC(CC1)C(=O)NC(=O)CCl
InChI
InChI=1S/C9H14ClNO2/c10-6-8(12)11-9(13)7-4-2-1-3-5-7/h7H,1-6H2,(H,11,12,13)
InChIKey
FHCDCXUGRJRJMY-UHFFFAOYSA-N
Compound name
N-(2-chloroacetyl)cyclohexanecarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.0713 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.07858 144.5
[M+Na]+ 226.06052 148.9
[M-H]- 202.06402 146.9
[M+NH4]+ 221.10512 163.6
[M+K]+ 242.03446 146.3
[M+H-H2O]+ 186.06856 139.5
[M+HCOO]- 248.06950 160.1
[M+CH3COO]- 262.08515 183.7
[M+Na-2H]- 224.04597 147.0
[M]+ 203.07075 141.4
[M]- 203.07185 141.4
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.