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

2
Patents

200.07164 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.07892 144.1
[M+Na]+ 223.06086 152.3
[M-H]- 199.06436 146.9
[M+NH4]+ 218.10546 163.5
[M+K]+ 239.03480 147.5
[M+H-H2O]+ 183.06890 133.6
[M+HCOO]- 245.06984 157.6
[M+CH3COO]- 259.08549 195.2
[M+Na-2H]- 221.04631 148.8
[M]+ 200.07109 136.7
[M]- 200.07219 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