CID 9589307

N-((ethoxycarbonyl)oxy)ethanimidoyl chloride

Structural Information

Molecular Formula
C5H8ClNO3
SMILES
CCOC(=O)O/N=C(/C)\Cl
InChI
InChI=1S/C5H8ClNO3/c1-3-9-5(8)10-7-4(2)6/h3H2,1-2H3/b7-4-
InChIKey
QAMONYHPYGTACP-DAXSKMNVSA-N
Compound name
[(Z)-1-chloroethylideneamino] ethyl carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

165.01927 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.02655 130.0
[M+Na]+ 188.00849 138.3
[M-H]- 164.01199 132.1
[M+NH4]+ 183.05309 152.1
[M+K]+ 203.98243 138.2
[M+H-H2O]+ 148.01653 126.1
[M+HCOO]- 210.01747 151.5
[M+CH3COO]- 224.03312 179.3
[M+Na-2H]- 185.99394 135.6
[M]+ 165.01872 135.3
[M]- 165.01982 135.3
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.