CID 135431257

5463-93-4

Structural Information

Molecular Formula
C6H8N6O
SMILES
CN1C2=C(C=N1)C(=O)NC(=N2)NN
InChI
InChI=1S/C6H8N6O/c1-12-4-3(2-8-12)5(13)10-6(9-4)11-7/h2H,7H2,1H3,(H2,9,10,11,13)
InChIKey
HAFKXNVWQWJQFI-UHFFFAOYSA-N
Compound name
6-hydrazinyl-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

180.07596 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.083236 134.9
[M+Na]+ 203.065178 147.0
[M-H]- 179.068684 134.2
[M+NH4]+ 198.109783 151.6
[M+K]+ 219.039118 142.8
[M+H-H2O]+ 163.073220 127.0
[M+HCOO]- 225.074161 157.6
[M+CH3COO]- 239.089811 148.0
[M+Na-2H]- 201.050626 143.5
[M]+ 180.07541142 134.6
[M]- 180.07650858 134.6
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.