CID 75525865

2-{1h-pyrazolo[4,3-b]pyridin-1-yl}acetic acid dihydrochloride

Structural Information

Molecular Formula
C8H7N3O2
SMILES
C1=CC2=C(C=NN2CC(=O)O)N=C1
InChI
InChI=1S/C8H7N3O2/c12-8(13)5-11-7-2-1-3-9-6(7)4-10-11/h1-4H,5H2,(H,12,13)
InChIKey
XIAVUSMXJDJZFK-UHFFFAOYSA-N
Compound name
2-pyrazolo[4,3-b]pyridin-1-ylacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

177.05383 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.06111 133.7
[M+Na]+ 200.04305 144.4
[M+NH4]+ 195.08765 133.8
[M+K]+ 216.01699 152.0
[M-H]- 176.04655 141.6
[M+Na-2H]- 198.02850 126.3
[M]+ 177.05328 154.9
[M]- 177.05438 176.3
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