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]+ 175.063256 135.7
[M+Na]+ 197.045198 144.7
[M-H]- 173.048704 137.7
[M+NH4]+ 192.089803 155.2
[M+K]+ 213.019138 143.3
[M+H-H2O]+ 157.053240 124.9
[M+HCOO]- 219.054181 152.7
[M+CH3COO]- 233.069831 196.7
[M+Na-2H]- 195.030646 140.1
[M]+ 174.05543142 134.4
[M]- 174.05652858 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.