CID 2389989

2-chloro-n-(cyclohexylmethyl)acetamide

Structural Information

Molecular Formula
C9H16ClNO
SMILES
C1CCC(CC1)CNC(=O)CCl
InChI
InChI=1S/C9H16ClNO/c10-6-9(12)11-7-8-4-2-1-3-5-8/h8H,1-7H2,(H,11,12)
InChIKey
XCBFUXBNWGQTOD-UHFFFAOYSA-N
Compound name
2-chloro-N-(cyclohexylmethyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

54
Patents

189.09204 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.099316 142.8
[M+Na]+ 212.081258 147.0
[M-H]- 188.084764 145.0
[M+NH4]+ 207.125863 162.6
[M+K]+ 228.055198 144.0
[M+H-H2O]+ 172.089300 137.6
[M+HCOO]- 234.090241 158.8
[M+CH3COO]- 248.105891 182.4
[M+Na-2H]- 210.066706 146.4
[M]+ 189.09149142 139.5
[M]- 189.09258858 139.5
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