CID 54592479

2-chloro-n-(2-cyanoethyl)-n-ethylacetamide

Structural Information

Molecular Formula
C7H11ClN2O
SMILES
CCN(CCC#N)C(=O)CCl
InChI
InChI=1S/C7H11ClN2O/c1-2-10(5-3-4-9)7(11)6-8/h2-3,5-6H2,1H3
InChIKey
GYLROOMNGWNVHB-UHFFFAOYSA-N
Compound name
2-chloro-N-(2-cyanoethyl)-N-ethylacetamide
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 135.7
[M+Na]+ 197.04520 144.7
[M-H]- 173.04870 137.7
[M+NH4]+ 192.08980 155.2
[M+K]+ 213.01914 143.3
[M+H-H2O]+ 157.05324 124.9
[M+HCOO]- 219.05418 152.7
[M+CH3COO]- 233.06983 196.7
[M+Na-2H]- 195.03065 140.1
[M]+ 174.05543 134.4
[M]- 174.05653 134.4
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.