CID 72073

Quindoxin

Structural Information

Molecular Formula

C₈H₆N₂O₂

SMILES

C1=CC=C2C(=C1)N(C=C[N+]2=O)[O-]

InChI

InChI=1S/C8H6N2O2/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6H

InChIKey

CKIHZSGJPSDCNC-UHFFFAOYSA-N

Compound name

4-oxidoquinoxalin-1-ium 1-oxide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 77
References: 606
Patents: 162.04292 Da
Monoisotopic Mass: -0.1
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]+	163.05020	127.7
[M+Na]+	185.03214	144.8
[M+NH4]+	180.07674	136.9
[M+K]+	201.00608	139.9
[M-H]-	161.03564	130.7
[M+Na-2H]-	183.01759	135.9
[M]+	162.04237	131.0
[M]-	162.04347	131.0

Literature stripe

literature stripe

Patent stripe

patents stripe