CID 47002293

2155855-19-7

Structural Information

Molecular Formula
C8H7N3O3
SMILES
CC1=CC(=C2C(=N1)NNC2=O)C(=O)O
InChI
InChI=1S/C8H7N3O3/c1-3-2-4(8(13)14)5-6(9-3)10-11-7(5)12/h2H,1H3,(H,13,14)(H2,9,10,11,12)
InChIKey
AXXOAESAQCCXAU-UHFFFAOYSA-N
Compound name
6-methyl-3-oxo-1,2-dihydropyrazolo[3,4-b]pyridine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.04874 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.05602 137.7
[M+Na]+ 216.03796 149.5
[M-H]- 192.04146 135.9
[M+NH4]+ 211.08256 154.4
[M+K]+ 232.01190 144.8
[M+H-H2O]+ 176.04600 131.3
[M+HCOO]- 238.04694 156.2
[M+CH3COO]- 252.06259 175.4
[M+Na-2H]- 214.02341 143.1
[M]+ 193.04819 137.7
[M]- 193.04929 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

No patent data available for this compound.