CID 136245846

3-amino-1h-pyrazolo[3,4-d]pyrimidin-4-ol

Structural Information

Molecular Formula
C5H5N5O
SMILES
C1=NC2=NNC(=C2C(=O)N1)N
InChI
InChI=1S/C5H5N5O/c6-3-2-4(10-9-3)7-1-8-5(2)11/h1H,(H4,6,7,8,9,10,11)
InChIKey
WTJBXZLPNBPBIB-UHFFFAOYSA-N
Compound name
3-amino-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

151.04941 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.05669 126.2
[M+Na]+ 174.03863 138.4
[M+NH4]+ 169.08323 132.4
[M+K]+ 190.01257 136.1
[M-H]- 150.04213 125.0
[M+Na-2H]- 172.02408 131.5
[M]+ 151.04886 127.1
[M]- 151.04996 127.1
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

patents stripe