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

6
Patents

151.04941 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.056686 127.2
[M+Na]+ 174.038628 139.3
[M-H]- 150.042134 124.8
[M+NH4]+ 169.083233 144.4
[M+K]+ 190.012568 134.5
[M+H-H2O]+ 134.046670 119.8
[M+HCOO]- 196.047611 147.7
[M+CH3COO]- 210.063261 140.2
[M+Na-2H]- 172.024076 135.9
[M]+ 151.04886142 124.9
[M]- 151.04995858 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