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[3,4-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]+ 181.08324 134.9
[M+Na]+ 203.06518 147.0
[M-H]- 179.06868 134.2
[M+NH4]+ 198.10978 151.6
[M+K]+ 219.03912 142.8
[M+H-H2O]+ 163.07322 127.0
[M+HCOO]- 225.07416 157.6
[M+CH3COO]- 239.08981 148.0
[M+Na-2H]- 201.05063 143.5
[M]+ 180.07541 134.6
[M]- 180.07651 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.