CID 278338

Nsc127855

Structural Information

Molecular Formula
C4H6N8
SMILES
C1(=NC(=N)N2N1C(=NC2=N)N)N
InChI
InChI=1S/C4H6N8/c5-1-9-2(6)12-4(8)10-3(7)11(1)12/h(H3,5,6,9)(H3,7,8,10)
InChIKey
BIFKOFSJJJAFEY-UHFFFAOYSA-N
Compound name
3,5-diimino-[1,2,4]triazolo[1,2-a][1,2,4]triazole-1,7-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

166.07155 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.07883 129.2
[M+Na]+ 189.06077 141.8
[M-H]- 165.06427 130.6
[M+NH4]+ 184.10537 148.2
[M+K]+ 205.03471 138.3
[M+H-H2O]+ 149.06881 121.3
[M+HCOO]- 211.06975 156.2
[M+CH3COO]- 225.08540 143.2
[M+Na-2H]- 187.04622 136.2
[M]+ 166.07100 126.8
[M]- 166.07210 126.8
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.