CID 5717316

Pyruvic aldehyde 1-phenylhydrazone

Structural Information

Molecular Formula

C₉H₁₀N₂O

SMILES

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

InChI

InChI=1S/C9H10N2O/c1-8(12)7-10-11-9-5-3-2-4-6-9/h2-7,11H,1H3/b10-7+

InChIKey

PWELTGGNVDVIGR-JXMROGBWSA-N

Compound name

(1E)-1-(phenylhydrazinylidene)propan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 14
Patents: 162.07932 Da
Monoisotopic Mass: 2.3
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]+	163.08660	132.8
[M+Na]+	185.06854	139.3
[M-H]-	161.07204	137.8
[M+NH4]+	180.11314	153.4
[M+K]+	201.04248	138.0
[M+H-H2O]+	145.07658	126.2
[M+HCOO]-	207.07752	160.6
[M+CH3COO]-	221.09317	184.1
[M+Na-2H]-	183.05399	140.9
[M]+	162.07877	132.4
[M]-	162.07987	132.4

Literature stripe

literature stripe

Patent stripe

patents stripe