CID 9167414

878218-58-7

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

2
References

3
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

literature stripe

Patent stripe

patents stripe