CID 9589285

N-(1-oxopropoxy)ethanimidoyl chloride

Structural Information

Molecular Formula
C5H8ClNO2
SMILES
CCC(=O)O/N=C(/C)\Cl
InChI
InChI=1S/C5H8ClNO2/c1-3-5(8)9-7-4(2)6/h3H2,1-2H3/b7-4-
InChIKey
RCDPCDAROHGKOA-DAXSKMNVSA-N
Compound name
[(Z)-1-chloroethylideneamino] propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

149.02435 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.03163 127.4
[M+Na]+ 172.01357 137.7
[M+NH4]+ 167.05817 135.1
[M+K]+ 187.98751 132.8
[M-H]- 148.01707 126.9
[M+Na-2H]- 169.99902 131.3
[M]+ 149.02380 128.6
[M]- 149.02490 128.6
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.