CID 3858086

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

Structural Information

Molecular Formula
C10H15ClN2O
SMILES
CC(C(=O)NC1(CCCCC1)C#N)Cl
InChI
InChI=1S/C10H15ClN2O/c1-8(11)9(14)13-10(7-12)5-3-2-4-6-10/h8H,2-6H2,1H3,(H,13,14)
InChIKey
NORBIVAWQUKFIC-UHFFFAOYSA-N
Compound name
2-chloro-N-(1-cyanocyclohexyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.0873 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.09458 149.1
[M+Na]+ 237.07652 156.6
[M-H]- 213.08002 151.8
[M+NH4]+ 232.12112 167.9
[M+K]+ 253.05046 152.1
[M+H-H2O]+ 197.08456 138.6
[M+HCOO]- 259.08550 161.4
[M+CH3COO]- 273.10115 198.7
[M+Na-2H]- 235.06197 152.2
[M]+ 214.08675 141.4
[M]- 214.08785 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.