CID 5747557

N-(((dimethylamino)carbonyl)oxy)ethanimidoyl chloride

Structural Information

Molecular Formula
C5H9ClN2O2
SMILES
C/C(=N/OC(=O)N(C)C)/Cl
InChI
InChI=1S/C5H9ClN2O2/c1-4(6)7-10-5(9)8(2)3/h1-3H3/b7-4-
InChIKey
PQLRUMMTQHZCDY-DAXSKMNVSA-N
Compound name
[(Z)-1-chloroethylideneamino] N,N-dimethylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

164.03525 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.04253 131.8
[M+Na]+ 187.02447 141.0
[M+NH4]+ 182.06907 139.2
[M+K]+ 202.99841 137.0
[M-H]- 163.02797 131.8
[M+Na-2H]- 185.00992 135.6
[M]+ 164.03470 133.0
[M]- 164.03580 133.0
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

No patent data available for this compound.