CID 16228660

898911-34-7

Structural Information

Molecular Formula
C9H8ClN3O
SMILES
CC1=NN(C2=C1C=C(C(=N2)Cl)C=O)C
InChI
InChI=1S/C9H8ClN3O/c1-5-7-3-6(4-14)8(10)11-9(7)13(2)12-5/h3-4H,1-2H3
InChIKey
GROJIEMGBWEVOY-UHFFFAOYSA-N
Compound name
6-chloro-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

209.03558 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.042856 141.0
[M+Na]+ 232.024798 155.5
[M-H]- 208.028304 142.9
[M+NH4]+ 227.069403 160.6
[M+K]+ 247.998738 150.5
[M+H-H2O]+ 192.032840 134.2
[M+HCOO]- 254.033781 159.3
[M+CH3COO]- 268.049431 155.5
[M+Na-2H]- 230.010246 147.1
[M]+ 209.03503142 147.4
[M]- 209.03612858 147.4
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