CID 12779277

1128-13-8

Structural Information

Molecular Formula

C₆H₈N₄O₂

SMILES

C1(=C(C(=O)C(=C(C1=O)N)N)N)N

InChI

InChI=1S/C6H8N4O2/c7-1-2(8)6(12)4(10)3(9)5(1)11/h7-10H2

InChIKey

DNHCPEFCQYRQQN-UHFFFAOYSA-N

Compound name

2,3,5,6-tetraaminocyclohexa-2,5-diene-1,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 131
Patents: 168.06473 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]+	169.07201	132.7
[M+Na]+	191.05395	140.9
[M+NH4]+	186.09855	138.8
[M+K]+	207.02789	138.2
[M-H]-	167.05745	134.9
[M+Na-2H]-	189.03940	135.7
[M]+	168.06418	133.8
[M]-	168.06528	133.8

Literature stripe

literature stripe

Patent stripe

patents stripe