CID 5354181

Pyruvate phenylhydrazone

Structural Information

Molecular Formula

C₉H₁₀N₂O₂

SMILES

C/C(=N\NC1=CC=CC=C1)/C(=O)O

InChI

InChI=1S/C9H10N2O2/c1-7(9(12)13)10-11-8-5-3-2-4-6-8/h2-6,11H,1H3,(H,12,13)/b10-7+

InChIKey

CSTSUTMIORLRIN-JXMROGBWSA-N

Compound name

(2E)-2-(phenylhydrazinylidene)propanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 11
Patents: 178.07423 Da
Monoisotopic Mass: 2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	179.08151	138.2
[M+Na]+	201.06345	148.0
[M+NH4]+	196.10805	145.4
[M+K]+	217.03739	143.2
[M-H]-	177.06695	140.0
[M+Na-2H]-	199.04890	144.3
[M]+	178.07368	139.7
[M]-	178.07478	139.7

Literature stripe

literature stripe

Patent stripe

patents stripe