CID 18868

Acetone benzoylhydrazone

Structural Information

Molecular Formula

C₁₀H₁₂N₂O

SMILES

CC(=NNC(=O)C1=CC=CC=C1)C

InChI

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

InChIKey

SSEYDGGXERWOIC-UHFFFAOYSA-N

Compound name

N-(propan-2-ylideneamino)benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 107
Patents: 176.09496 Da
Monoisotopic Mass: 1.4
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]+	177.10224	138.4
[M+Na]+	199.08418	144.2
[M-H]-	175.08768	143.3
[M+NH4]+	194.12878	158.4
[M+K]+	215.05812	143.2
[M+H-H2O]+	159.09222	131.7
[M+HCOO]-	221.09316	164.8
[M+CH3COO]-	235.10881	187.3
[M+Na-2H]-	197.06963	144.6
[M]+	176.09441	137.6
[M]-	176.09551	137.6

Literature stripe

literature stripe

Patent stripe

patents stripe