CID 82417707

1h-pyrazolo[4,3-b]pyridine-3-carbaldehyde

Structural Information

Molecular Formula
C7H5N3O
SMILES
C1=CC2=NNC(=C2N=C1)C=O
InChI
InChI=1S/C7H5N3O/c11-4-6-7-5(9-10-6)2-1-3-8-7/h1-4H,(H,9,10)
InChIKey
QXYPRHHNIMYYRY-UHFFFAOYSA-N
Compound name
2H-pyrazolo[4,3-b]pyridine-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

147.04326 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.050536 125.8
[M+Na]+ 170.032478 137.5
[M-H]- 146.035984 125.9
[M+NH4]+ 165.077083 145.5
[M+K]+ 186.006418 133.8
[M+H-H2O]+ 130.040520 118.6
[M+HCOO]- 192.041461 148.2
[M+CH3COO]- 206.057111 140.0
[M+Na-2H]- 168.017926 135.4
[M]+ 147.04271142 126.9
[M]- 147.04380858 126.9
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

patents stripe