CID 11499364

862273-50-5

Structural Information

Molecular Formula
C8H7N3O3
SMILES
CC1=CC(=NC2=C1C(=O)NN2)C(=O)O
InChI
InChI=1S/C8H7N3O3/c1-3-2-4(8(13)14)9-6-5(3)7(12)11-10-6/h2H,1H3,(H,13,14)(H2,9,10,11,12)
InChIKey
VQQRFSOPXLAILL-UHFFFAOYSA-N
Compound name
4-methyl-3-oxo-1,2-dihydropyrazolo[3,4-b]pyridine-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

193.04874 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.056016 137.7
[M+Na]+ 216.037958 149.5
[M-H]- 192.041464 135.9
[M+NH4]+ 211.082563 154.4
[M+K]+ 232.011898 144.8
[M+H-H2O]+ 176.046000 131.3
[M+HCOO]- 238.046941 156.2
[M+CH3COO]- 252.062591 175.4
[M+Na-2H]- 214.023406 143.1
[M]+ 193.04819142 137.7
[M]- 193.04928858 137.7
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