CID 135439965

Dtxsid10876713

Structural Information

Molecular Formula

C₁₂H₁₁N₃O

SMILES

C1=CC=C(C(=C1)/C=N/NC2=CC=CC=N2)O

InChI

InChI=1S/C12H11N3O/c16-11-6-2-1-5-10(11)9-14-15-12-7-3-4-8-13-12/h1-9,16H,(H,13,15)/b14-9+

InChIKey

VZOPTEASQLBLJX-NTEUORMPSA-N

Compound name

2-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 3
Patents: 213.09021 Da
Monoisotopic Mass: 2.4
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]+	214.09749	144.5
[M+Na]+	236.07943	151.6
[M-H]-	212.08293	150.0
[M+NH4]+	231.12403	161.0
[M+K]+	252.05337	147.7
[M+H-H2O]+	196.08747	136.0
[M+HCOO]-	258.08841	170.8
[M+CH3COO]-	272.10406	190.1
[M+Na-2H]-	234.06488	154.0
[M]+	213.08966	143.0
[M]-	213.09076	143.0

Literature stripe

literature stripe

Patent stripe

patents stripe