CID 5218788

Sib 1757

Structural Information

Molecular Formula

C₁₂H₁₁N₃O

SMILES

CC1=NC(=C(C=C1)O)N=NC2=CC=CC=C2

InChI

InChI=1S/C12H11N3O/c1-9-7-8-11(16)12(13-9)15-14-10-5-3-2-4-6-10/h2-8,16H,1H3

InChIKey

LOCPVWIREQIGNQ-UHFFFAOYSA-N

Compound name

6-methyl-2-phenyldiazenylpyridin-3-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 36
References: 400
Patents: 213.09021 Da
Monoisotopic Mass: 3.0
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	146.3
[M+Na]+	236.07943	160.8
[M+NH4]+	231.12403	154.9
[M+K]+	252.05337	153.0
[M-H]-	212.08293	152.0
[M+Na-2H]-	234.06488	157.1
[M]+	213.08966	150.0
[M]-	213.09076	150.0

Literature stripe

literature stripe

Patent stripe

patents stripe