CID 136305483

2137635-09-5

Structural Information

Molecular Formula
C7H9N3O2
SMILES
C1CC2=C(NN=C2NC1)C(=O)O
InChI
InChI=1S/C7H9N3O2/c11-7(12)5-4-2-1-3-8-6(4)10-9-5/h1-3H2,(H,11,12)(H2,8,9,10)
InChIKey
HROYYDWPBIVSOU-UHFFFAOYSA-N
Compound name
4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]pyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

167.06947 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.07675 135.0
[M+Na]+ 190.05869 144.2
[M+NH4]+ 185.10329 141.3
[M+K]+ 206.03263 142.5
[M-H]- 166.06219 132.7
[M+Na-2H]- 188.04414 137.2
[M]+ 167.06892 135.1
[M]- 167.07002 135.1
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

No patent data available for this compound.