CID 90702005

2418720-67-7

Structural Information

Molecular Formula
C6H4N4O2
SMILES
C1=C2C(=NC(=N1)C(=O)O)C=NN2
InChI
InChI=1S/C6H4N4O2/c11-6(12)5-7-1-4-3(9-5)2-8-10-4/h1-2H,(H,8,10)(H,11,12)
InChIKey
BONZORFHHCOSFT-UHFFFAOYSA-N
Compound name
1H-pyrazolo[4,3-d]pyrimidine-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

164.03343 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.04071 130.3
[M+Na]+ 187.02265 142.8
[M+NH4]+ 182.06725 136.4
[M+K]+ 202.99659 140.6
[M-H]- 163.02615 128.3
[M+Na-2H]- 185.00810 135.6
[M]+ 164.03288 131.1
[M]- 164.03398 131.1
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