CID 136245846

15908-68-6

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

8
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 127.2
[M+Na]+ 174.03863 139.3
[M-H]- 150.04213 124.8
[M+NH4]+ 169.08323 144.4
[M+K]+ 190.01257 134.5
[M+H-H2O]+ 134.04667 119.8
[M+HCOO]- 196.04761 147.7
[M+CH3COO]- 210.06326 140.2
[M+Na-2H]- 172.02408 135.9
[M]+ 151.04886 124.9
[M]- 151.04996 124.9
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