CID 55291475

2-(chloromethyl)prop-2-enamide

Structural Information

Molecular Formula
C4H6ClNO
SMILES
C=C(CCl)C(=O)N
InChI
InChI=1S/C4H6ClNO/c1-3(2-5)4(6)7/h1-2H2,(H2,6,7)
InChIKey
UANLRBJZMNYBAC-UHFFFAOYSA-N
Compound name
2-(chloromethyl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

119.013794 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 120.02107 121.0
[M+Na]+ 142.00301 129.1
[M-H]- 118.00652 121.1
[M+NH4]+ 137.04762 143.6
[M+K]+ 157.97695 126.8
[M+H-H2O]+ 102.01105 117.8
[M+HCOO]- 164.01200 140.0
[M+CH3COO]- 178.02764 170.9
[M+Na-2H]- 139.98846 125.3
[M]+ 119.01325 120.2
[M]- 119.01434 120.2
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