CID 374911

Nsc653495

Structural Information

Molecular Formula
C13H16N2O5
SMILES
CCOC(=O)C1=CC=CC=C1NNC(=O)CCC(=O)O
InChI
InChI=1S/C13H16N2O5/c1-2-20-13(19)9-5-3-4-6-10(9)14-15-11(16)7-8-12(17)18/h3-6,14H,2,7-8H2,1H3,(H,15,16)(H,17,18)
InChIKey
JTDGFDNXNJGREX-UHFFFAOYSA-N
Compound name
4-[2-(2-ethoxycarbonylphenyl)hydrazinyl]-4-oxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.10593 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.11321 162.3
[M+Na]+ 303.09515 166.4
[M-H]- 279.09865 164.2
[M+NH4]+ 298.13975 176.4
[M+K]+ 319.06909 165.3
[M+H-H2O]+ 263.10319 154.8
[M+HCOO]- 325.10413 184.7
[M+CH3COO]- 339.11978 201.4
[M+Na-2H]- 301.08060 164.3
[M]+ 280.10538 163.6
[M]- 280.10648 163.6
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.