CID 220434

2-oxopropanal phenylhydrazone

Structural Information

Molecular Formula

C₉H₁₀N₂O

SMILES

CC(=O)C=NNC1=CC=CC=C1

InChI

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

InChIKey

PWELTGGNVDVIGR-UHFFFAOYSA-N

Compound name

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	134.5
[M+Na]+	185.06854	145.8
[M+NH4]+	180.11314	142.9
[M+K]+	201.04248	139.3
[M-H]-	161.07204	137.7
[M+Na-2H]-	183.05399	142.2
[M]+	162.07877	136.8
[M]-	162.07987	136.8

Literature stripe

literature stripe

Patent stripe

patents stripe