CID 135780309

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

Structural Information

Molecular Formula
C6H6N4O
SMILES
CC1=C2C(=O)NC=NC2=NN1
InChI
InChI=1S/C6H6N4O/c1-3-4-5(10-9-3)7-2-8-6(4)11/h2H,1H3,(H2,7,8,9,10,11)
InChIKey
GPHQGGGMWLLWMC-UHFFFAOYSA-N
Compound name
3-methyl-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

150.05415 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.061426 128.1
[M+Na]+ 173.043368 140.7
[M-H]- 149.046874 125.9
[M+NH4]+ 168.087973 145.9
[M+K]+ 189.017308 136.1
[M+H-H2O]+ 133.051410 120.8
[M+HCOO]- 195.052351 147.8
[M+CH3COO]- 209.068001 141.4
[M+Na-2H]- 171.028816 136.7
[M]+ 150.05360142 127.8
[M]- 150.05469858 127.8
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