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

170
Patents

168.06473 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.07201 132.6
[M+Na]+ 191.05395 142.0
[M-H]- 167.05745 135.9
[M+NH4]+ 186.09855 151.6
[M+K]+ 207.02789 139.5
[M+H-H2O]+ 151.06199 126.6
[M+HCOO]- 213.06293 158.7
[M+CH3COO]- 227.07858 189.6
[M+Na-2H]- 189.03940 134.5
[M]+ 168.06418 126.3
[M]- 168.06528 126.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.