CID 19000237

N-(2-chloroethyl)prop-2-enamide

Structural Information

Molecular Formula
C5H8ClNO
SMILES
C=CC(=O)NCCCl
InChI
InChI=1S/C5H8ClNO/c1-2-5(8)7-4-3-6/h2H,1,3-4H2,(H,7,8)
InChIKey
WSLOZQLOMMLGPY-UHFFFAOYSA-N
Compound name
N-(2-chloroethyl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

142
Patents

133.02943 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.03671 125.2
[M+Na]+ 156.01865 133.2
[M-H]- 132.02215 125.6
[M+NH4]+ 151.06325 147.7
[M+K]+ 171.99259 130.7
[M+H-H2O]+ 116.02669 121.7
[M+HCOO]- 178.02763 145.5
[M+CH3COO]- 192.04328 173.1
[M+Na-2H]- 154.00410 131.3
[M]+ 133.02888 126.4
[M]- 133.02998 126.4
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

patents stripe