CID 47002145

1,3-dimethyl-1h-pyrazolo[3,4-b]pyridine-5-carbaldehyde

Structural Information

Molecular Formula
C9H9N3O
SMILES
CC1=NN(C2=C1C=C(C=N2)C=O)C
InChI
InChI=1S/C9H9N3O/c1-6-8-3-7(5-13)4-10-9(8)12(2)11-6/h3-5H,1-2H3
InChIKey
OLOZBXHUXMYKEO-UHFFFAOYSA-N
Compound name
1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

175.07455 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.081826 134.6
[M+Na]+ 198.063768 147.7
[M-H]- 174.067274 136.5
[M+NH4]+ 193.108373 154.6
[M+K]+ 214.037708 144.4
[M+H-H2O]+ 158.071810 127.4
[M+HCOO]- 220.072751 157.8
[M+CH3COO]- 234.088401 181.3
[M+Na-2H]- 196.049216 142.1
[M]+ 175.07400142 139.0
[M]- 175.07509858 139.0
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