CID 22155864

51493-18-6

Structural Information

Molecular Formula
C5H8ClNO
SMILES
CN(CC=C)C(=O)Cl
InChI
InChI=1S/C5H8ClNO/c1-3-4-7(2)5(6)8/h3H,1,4H2,2H3
InChIKey
UEKTZPNFEQJPLZ-UHFFFAOYSA-N
Compound name
N-methyl-N-prop-2-enylcarbamoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

133.02943 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.036706 124.5
[M+Na]+ 156.018648 132.7
[M-H]- 132.022154 126.5
[M+NH4]+ 151.063253 147.7
[M+K]+ 171.992588 131.6
[M+H-H2O]+ 116.026690 120.9
[M+HCOO]- 178.027631 145.4
[M+CH3COO]- 192.043281 176.6
[M+Na-2H]- 154.004096 130.0
[M]+ 133.02888142 127.0
[M]- 133.02997858 127.0
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