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]+ 175.063256 136.7
[M+Na]+ 197.045198 145.4
[M-H]- 173.048704 138.7
[M+NH4]+ 192.089803 156.1
[M+K]+ 213.019138 144.4
[M+H-H2O]+ 157.053240 126.0
[M+HCOO]- 219.054181 152.7
[M+CH3COO]- 233.069831 197.5
[M+Na-2H]- 195.030646 139.8
[M]+ 174.05543142 134.8
[M]- 174.05652858 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.