CID 5747565

N-(((methylamino)carbonyl)oxy)propanimidoyl chloride

Structural Information

Molecular Formula
C5H9ClN2O2
SMILES
CC/C(=N/OC(=O)NC)/Cl
InChI
InChI=1S/C5H9ClN2O2/c1-3-4(6)8-10-5(9)7-2/h3H2,1-2H3,(H,7,9)/b8-4-
InChIKey
QWNZDANFKARXPS-YWEYNIOJSA-N
Compound name
[(Z)-1-chloropropylideneamino] N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

164.03525 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.04253 132.7
[M+Na]+ 187.02447 140.1
[M-H]- 163.02797 134.6
[M+NH4]+ 182.06907 154.4
[M+K]+ 202.99841 139.4
[M+H-H2O]+ 147.03251 128.3
[M+HCOO]- 209.03345 154.8
[M+CH3COO]- 223.04910 182.1
[M+Na-2H]- 185.00992 138.2
[M]+ 164.03470 135.7
[M]- 164.03580 135.7
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

No patent data available for this compound.