CID 16778107

1-(2-methylpropyl)-1h-pyrazolo[3,4-b]pyridine-5-carboxylic acid

Structural Information

Molecular Formula
C11H13N3O2
SMILES
CC(C)CN1C2=NC=C(C=C2C=N1)C(=O)O
InChI
InChI=1S/C11H13N3O2/c1-7(2)6-14-10-8(5-13-14)3-9(4-12-10)11(15)16/h3-5,7H,6H2,1-2H3,(H,15,16)
InChIKey
JXXHBISQTDGFLN-UHFFFAOYSA-N
Compound name
1-(2-methylpropyl)pyrazolo[3,4-b]pyridine-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.10077 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.108046 147.9
[M+Na]+ 242.089988 157.8
[M-H]- 218.093494 147.9
[M+NH4]+ 237.134593 164.7
[M+K]+ 258.063928 154.8
[M+H-H2O]+ 202.098030 140.3
[M+HCOO]- 264.098971 167.0
[M+CH3COO]- 278.114621 187.4
[M+Na-2H]- 240.075436 152.3
[M]+ 219.10022142 150.9
[M]- 219.10131858 150.9
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.