CID 6399296

Nsc377969

Structural Information

Molecular Formula
C5H6N6O
SMILES
CC1=NN2C(=N1)C(=NNC2=O)N
InChI
InChI=1S/C5H6N6O/c1-2-7-4-3(6)8-9-5(12)11(4)10-2/h1H3,(H2,6,8)(H,9,12)
InChIKey
HHZLPCMBGBEBOQ-UHFFFAOYSA-N
Compound name
8-amino-2-methyl-6H-[1,2,4]triazolo[1,5-d][1,2,4]triazin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

166.0603 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.067576 133.0
[M+Na]+ 189.049518 146.5
[M-H]- 165.053024 131.0
[M+NH4]+ 184.094123 149.2
[M+K]+ 205.023458 142.2
[M+H-H2O]+ 149.057560 124.9
[M+HCOO]- 211.058501 153.5
[M+CH3COO]- 225.074151 146.1
[M+Na-2H]- 187.034966 141.2
[M]+ 166.05975142 133.5
[M]- 166.06084858 133.5
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.