CID 222365

2-chloro-n-cyclohexylacetamide

Structural Information

Molecular Formula
C8H14ClNO
SMILES
C1CCC(CC1)NC(=O)CCl
InChI
InChI=1S/C8H14ClNO/c9-6-8(11)10-7-4-2-1-3-5-7/h7H,1-6H2,(H,10,11)
InChIKey
RLFIWYGMZQJEFO-UHFFFAOYSA-N
Compound name
2-chloro-N-cyclohexylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

275
Patents

175.07639 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.083666 138.2
[M+Na]+ 198.065608 142.8
[M-H]- 174.069114 140.6
[M+NH4]+ 193.110213 158.5
[M+K]+ 214.039548 140.1
[M+H-H2O]+ 158.073650 133.2
[M+HCOO]- 220.074591 154.6
[M+CH3COO]- 234.090241 179.4
[M+Na-2H]- 196.051056 142.3
[M]+ 175.07584142 134.6
[M]- 175.07693858 134.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe