CID 95843

4121-35-1

Structural Information

Molecular Formula

C₁₂H₁₂N₂O₂

SMILES

C1CCC2=C(C1)N(C3=CC=CC=C3[N+]2=O)[O-]

InChI

InChI=1S/C12H12N2O2/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13/h1-2,5-6H,3-4,7-8H2

InChIKey

ZAGMPYKFWVJEKT-UHFFFAOYSA-N

Compound name

10-oxido-1,2,3,4-tetrahydrophenazin-5-ium 5-oxide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 20
Patents: 216.08987 Da
Monoisotopic Mass: 1.0
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]+	217.097146	144.9
[M+Na]+	239.079088	153.5
[M-H]-	215.082594	146.3
[M+NH4]+	234.123693	161.8
[M+K]+	255.053028	144.5
[M+H-H2O]+	199.087130	141.5
[M+HCOO]-	261.088071	162.1
[M+CH3COO]-	275.103721	178.6
[M+Na-2H]-	237.064536	155.1
[M]+	216.08932142	140.9
[M]-	216.09041858	140.9

Literature stripe

literature stripe

Patent stripe

patents stripe