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 132.2
[M+Na]+ 187.02447 139.9
[M-H]- 163.02797 135.7
[M+NH4]+ 182.06907 154.6
[M+K]+ 202.99841 140.5
[M+H-H2O]+ 147.03251 127.8
[M+HCOO]- 209.03345 154.9
[M+CH3COO]- 223.04910 185.7
[M+Na-2H]- 185.00992 137.1
[M]+ 164.03470 136.6
[M]- 164.03580 136.6
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.