CID 135514780

1,6-phenazinediol

Structural Information

Molecular Formula

C₁₂H₈N₂O₂

SMILES

C1=CC2=C(C(=C1)O)N=C3C=CC=C(C3=N2)O

InChI

InChI=1S/C12H8N2O2/c15-9-5-1-3-7-11(9)14-8-4-2-6-10(16)12(8)13-7/h1-6,15-16H

InChIKey

JOXNFMAXWAPITK-UHFFFAOYSA-N

Compound name

phenazine-1,6-diol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 7
References: 30
Patents: 212.05858 Da
Monoisotopic Mass: 1.9
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]+	213.06586	142.8
[M+Na]+	235.04780	154.7
[M-H]-	211.05130	144.1
[M+NH4]+	230.09240	160.0
[M+K]+	251.02174	149.2
[M+H-H2O]+	195.05584	135.4
[M+HCOO]-	257.05678	162.2
[M+CH3COO]-	271.07243	155.7
[M+Na-2H]-	233.03325	153.9
[M]+	212.05803	144.1
[M]-	212.05913	144.1

Literature stripe

literature stripe

Patent stripe

patents stripe