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

20
Patents

150.05415 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.06143 128.1
[M+Na]+ 173.04337 140.7
[M-H]- 149.04687 125.9
[M+NH4]+ 168.08797 145.9
[M+K]+ 189.01731 136.1
[M+H-H2O]+ 133.05141 120.8
[M+HCOO]- 195.05235 147.8
[M+CH3COO]- 209.06800 141.4
[M+Na-2H]- 171.02882 136.7
[M]+ 150.05360 127.8
[M]- 150.05470 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