CID 135962910

2-{4-oxo-1h,2h,4h-pyrazolo[3,4-d]pyrimidin-1-yl}acetic acid

Structural Information

Molecular Formula
C7H6N4O3
SMILES
C1=NN(C2=C1C(=O)NC=N2)CC(=O)O
InChI
InChI=1S/C7H6N4O3/c12-5(13)2-11-6-4(1-10-11)7(14)9-3-8-6/h1,3H,2H2,(H,12,13)(H,8,9,14)
InChIKey
CSTPQBYWSUAIOA-UHFFFAOYSA-N
Compound name
2-(4-oxo-5H-pyrazolo[3,4-d]pyrimidin-1-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

194.04399 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.05127 137.9
[M+Na]+ 217.03321 150.0
[M+NH4]+ 212.07781 142.9
[M+K]+ 233.00715 148.3
[M-H]- 193.03671 135.2
[M+Na-2H]- 215.01866 142.0
[M]+ 194.04344 138.4
[M]- 194.04454 138.4
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