CID 47003028

1-(propan-2-yl)-1h-pyrazolo[3,4-b]pyridine-5-carbaldehyde

Structural Information

Molecular Formula
C10H11N3O
SMILES
CC(C)N1C2=C(C=C(C=N2)C=O)C=N1
InChI
InChI=1S/C10H11N3O/c1-7(2)13-10-9(5-12-13)3-8(6-14)4-11-10/h3-7H,1-2H3
InChIKey
HBTLUEIEMMQJFB-UHFFFAOYSA-N
Compound name
1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.09021 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.09749 139.5
[M+Na]+ 212.07943 150.9
[M-H]- 188.08293 141.0
[M+NH4]+ 207.12403 158.5
[M+K]+ 228.05337 147.8
[M+H-H2O]+ 172.08747 131.8
[M+HCOO]- 234.08841 161.3
[M+CH3COO]- 248.10406 184.0
[M+Na-2H]- 210.06488 146.0
[M]+ 189.08966 143.2
[M]- 189.09076 143.2
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

No patent data available for this compound.