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[5,4-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]+ 190.097486 139.5
[M+Na]+ 212.079428 150.9
[M-H]- 188.082934 141.0
[M+NH4]+ 207.124033 158.5
[M+K]+ 228.053368 147.8
[M+H-H2O]+ 172.087470 131.8
[M+HCOO]- 234.088411 161.3
[M+CH3COO]- 248.104061 184.0
[M+Na-2H]- 210.064876 146.0
[M]+ 189.08966142 143.2
[M]- 189.09075858 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.