CID 5937514

2,3-butanedione, 2-(2-phenylhydrazone)

Structural Information

Molecular Formula

C₁₀H₁₂N₂O

SMILES

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

InChI

InChI=1S/C10H12N2O/c1-8(9(2)13)11-12-10-6-4-3-5-7-10/h3-7,12H,1-2H3/b11-8+

InChIKey

HUHADASXDUCZMY-DHZHZOJOSA-N

Compound name

(3E)-3-(phenylhydrazinylidene)butan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 176.09496 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]+	177.10224	138.1
[M+Na]+	199.08418	143.9
[M-H]-	175.08768	143.0
[M+NH4]+	194.12878	158.1
[M+K]+	215.05812	142.8
[M+H-H2O]+	159.09222	131.4
[M+HCOO]-	221.09316	164.6
[M+CH3COO]-	235.10881	188.0
[M+Na-2H]-	197.06963	144.4
[M]+	176.09441	137.4
[M]-	176.09551	137.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe