CID 6504219

883544-72-7

Structural Information

Molecular Formula
C11H13N3O2
SMILES
CC1=CC(=C2C=NN(C2=N1)C(C)C)C(=O)O
InChI
InChI=1S/C11H13N3O2/c1-6(2)14-10-9(5-12-14)8(11(15)16)4-7(3)13-10/h4-6H,1-3H3,(H,15,16)
InChIKey
FZTBEHSMFGKXNA-UHFFFAOYSA-N
Compound name
6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

219.10077 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.10805 147.7
[M+Na]+ 242.08999 158.7
[M-H]- 218.09349 148.2
[M+NH4]+ 237.13459 164.9
[M+K]+ 258.06393 155.6
[M+H-H2O]+ 202.09803 140.5
[M+HCOO]- 264.09897 166.9
[M+CH3COO]- 278.11462 188.6
[M+Na-2H]- 240.07544 151.4
[M]+ 219.10022 151.2
[M]- 219.10132 151.2
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