CID 43176454

2-chloro-n-(2-cyanoethyl)-n-methylpropanamide

Structural Information

Molecular Formula
C7H11ClN2O
SMILES
CC(C(=O)N(C)CCC#N)Cl
InChI
InChI=1S/C7H11ClN2O/c1-6(8)7(11)10(2)5-3-4-9/h6H,3,5H2,1-2H3
InChIKey
IZJYJBNDKNZMPQ-UHFFFAOYSA-N
Compound name
2-chloro-N-(2-cyanoethyl)-N-methylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

174.05598 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.06326 136.7
[M+Na]+ 197.04520 145.4
[M-H]- 173.04870 138.7
[M+NH4]+ 192.08980 156.1
[M+K]+ 213.01914 144.4
[M+H-H2O]+ 157.05324 126.0
[M+HCOO]- 219.05418 152.7
[M+CH3COO]- 233.06983 197.5
[M+Na-2H]- 195.03065 139.8
[M]+ 174.05543 134.8
[M]- 174.05653 134.8
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.