CID 155858906

2580199-53-5

Structural Information

Molecular Formula
C7H9N3O2
SMILES
C1CNC2=C(C1C(=O)O)C=NN2
InChI
InChI=1S/C7H9N3O2/c11-7(12)4-1-2-8-6-5(4)3-9-10-6/h3-4H,1-2H2,(H,11,12)(H2,8,9,10)
InChIKey
UILDKBWSRWCHSW-UHFFFAOYSA-N
Compound name
4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

167.06947 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.07675 135.2
[M+Na]+ 190.05869 142.4
[M-H]- 166.06219 131.5
[M+NH4]+ 185.10329 152.2
[M+K]+ 206.03263 138.8
[M+H-H2O]+ 150.06673 128.3
[M+HCOO]- 212.06767 149.3
[M+CH3COO]- 226.08332 169.4
[M+Na-2H]- 188.04414 139.6
[M]+ 167.06892 129.0
[M]- 167.07002 129.0
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.