CID 268413

2-chloro-n-(1-cyanocyclohexyl)acetamide

Structural Information

Molecular Formula
C9H13ClN2O
SMILES
C1CCC(CC1)(C#N)NC(=O)CCl
InChI
InChI=1S/C9H13ClN2O/c10-6-8(13)12-9(7-11)4-2-1-3-5-9/h1-6H2,(H,12,13)
InChIKey
INVCOUXWXSTWNE-UHFFFAOYSA-N
Compound name
2-chloro-N-(1-cyanocyclohexyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

200.07164 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.078916 144.1
[M+Na]+ 223.060858 152.3
[M-H]- 199.064364 146.9
[M+NH4]+ 218.105463 163.5
[M+K]+ 239.034798 147.5
[M+H-H2O]+ 183.068900 133.6
[M+HCOO]- 245.069841 157.6
[M+CH3COO]- 259.085491 195.2
[M+Na-2H]- 221.046306 148.8
[M]+ 200.07109142 136.7
[M]- 200.07218858 136.7
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