CID 135426493

2-((2-chloro-phenyl)-hydrazono)-3-oxo-butyric acid ethyl ester

Structural Information

Molecular Formula
C12H13ClN2O3
SMILES
CCOC(=O)C(=C(C)O)N=NC1=CC=CC=C1Cl
InChI
InChI=1S/C12H13ClN2O3/c1-3-18-12(17)11(8(2)16)15-14-10-7-5-4-6-9(10)13/h4-7,16H,3H2,1-2H3
InChIKey
OPSYMAKKHSULSJ-UHFFFAOYSA-N
Compound name
ethyl 2-[(2-chlorophenyl)diazenyl]-3-hydroxybut-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.06146 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.06874 158.7
[M+Na]+ 291.05068 165.4
[M-H]- 267.05418 163.7
[M+NH4]+ 286.09528 176.0
[M+K]+ 307.02462 162.9
[M+H-H2O]+ 251.05872 152.6
[M+HCOO]- 313.05966 179.7
[M+CH3COO]- 327.07531 201.8
[M+Na-2H]- 289.03613 161.6
[M]+ 268.06091 162.7
[M]- 268.06201 162.7
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.