CID 66026

Acetone phenylhydrazone

Structural Information

Molecular Formula

C₉H₁₂N₂

SMILES

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

InChI

InChI=1S/C9H12N2/c1-8(2)10-11-9-6-4-3-5-7-9/h3-7,11H,1-2H3

InChIKey

JQLKSEQEILIJEG-UHFFFAOYSA-N

Compound name

N-(propan-2-ylideneamino)aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 123
Patents: 148.10005 Da
Monoisotopic Mass: 2.1
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]+	149.10733	130.9
[M+Na]+	171.08927	137.1
[M-H]-	147.09277	135.9
[M+NH4]+	166.13387	152.3
[M+K]+	187.06321	136.0
[M+H-H2O]+	131.09731	124.5
[M+HCOO]-	193.09825	158.3
[M+CH3COO]-	207.11390	183.0
[M+Na-2H]-	169.07472	139.0
[M]+	148.09950	129.8
[M]-	148.10060	129.8

Literature stripe

literature stripe

Patent stripe

patents stripe