CID 138618700

Schembl20983202

Structural Information

Molecular Formula
C9H9N3O2
SMILES
CN1C2=C(C=N1)N=C(C=C2)C(=O)OC
InChI
InChI=1S/C9H9N3O2/c1-12-8-4-3-6(9(13)14-2)11-7(8)5-10-12/h3-5H,1-2H3
InChIKey
GESTWRQHOHNXCQ-UHFFFAOYSA-N
Compound name
methyl 1-methylpyrazolo[4,3-b]pyridine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

191.06947 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.07675 138.1
[M+Na]+ 214.05869 149.8
[M-H]- 190.06219 139.7
[M+NH4]+ 209.10329 157.0
[M+K]+ 230.03263 147.5
[M+H-H2O]+ 174.06673 130.5
[M+HCOO]- 236.06767 160.4
[M+CH3COO]- 250.08332 182.4
[M+Na-2H]- 212.04414 145.1
[M]+ 191.06892 142.7
[M]- 191.07002 142.7
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