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]+ 167.06758 133.0
[M+Na]+ 189.04952 146.5
[M-H]- 165.05302 131.0
[M+NH4]+ 184.09412 149.2
[M+K]+ 205.02346 142.2
[M+H-H2O]+ 149.05756 124.9
[M+HCOO]- 211.05850 153.5
[M+CH3COO]- 225.07415 146.1
[M+Na-2H]- 187.03497 141.2
[M]+ 166.05975 133.5
[M]- 166.06085 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.