CID 614513

175201-94-2

Structural Information

Molecular Formula
C9H8ClN3O2
SMILES
CC1=NN(C2=NC=C(C(=C12)Cl)C(=O)O)C
InChI
InChI=1S/C9H8ClN3O2/c1-4-6-7(10)5(9(14)15)3-11-8(6)13(2)12-4/h3H,1-2H3,(H,14,15)
InChIKey
LHEUUYZQYKWDSY-UHFFFAOYSA-N
Compound name
4-chloro-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

225.0305 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.03778 144.0
[M+Na]+ 248.01972 157.7
[M-H]- 224.02322 144.8
[M+NH4]+ 243.06432 162.1
[M+K]+ 263.99366 152.9
[M+H-H2O]+ 208.02776 137.6
[M+HCOO]- 270.02870 160.1
[M+CH3COO]- 284.04435 186.7
[M+Na-2H]- 246.00517 148.7
[M]+ 225.02995 149.5
[M]- 225.03105 149.5
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