CID 22252131

29598-69-4

Structural Information

Molecular Formula
C4H6ClNO
SMILES
CN(C=C)C(=O)Cl
InChI
InChI=1S/C4H6ClNO/c1-3-6(2)4(5)7/h3H,1H2,2H3
InChIKey
CKRIMKVQRRHFSW-UHFFFAOYSA-N
Compound name
N-ethenyl-N-methylcarbamoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

119.013794 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 120.02107 119.8
[M+Na]+ 142.00301 128.4
[M-H]- 118.00652 121.9
[M+NH4]+ 137.04762 143.5
[M+K]+ 157.97695 127.5
[M+H-H2O]+ 102.01105 116.3
[M+HCOO]- 164.01200 140.9
[M+CH3COO]- 178.02764 173.6
[M+Na-2H]- 139.98846 125.8
[M]+ 119.01325 121.9
[M]- 119.01434 121.9
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