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

133
Patents

133.02943 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.036706 125.2
[M+Na]+ 156.018648 133.2
[M-H]- 132.022154 125.6
[M+NH4]+ 151.063253 147.7
[M+K]+ 171.992588 130.7
[M+H-H2O]+ 116.026690 121.7
[M+HCOO]- 178.027631 145.5
[M+CH3COO]- 192.043281 173.1
[M+Na-2H]- 154.004096 131.3
[M]+ 133.02888142 126.4
[M]- 133.02997858 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