CID 75465228

Methyl 1-methyl-1h,4h,5h,6h,7h-pyrazolo[3,4-c]pyridine-3-carboxylate hydrochloride

Structural Information

Molecular Formula
C9H13N3O2
SMILES
CN1C2=C(CCNC2)C(=N1)C(=O)OC
InChI
InChI=1S/C9H13N3O2/c1-12-7-5-10-4-3-6(7)8(11-12)9(13)14-2/h10H,3-5H2,1-2H3
InChIKey
BBVJAUYSNVZVSH-UHFFFAOYSA-N
Compound name
methyl 1-methyl-4,5,6,7-tetrahydropyrazolo[3,4-c]pyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.10077 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.10805 143.5
[M+Na]+ 218.08999 151.6
[M-H]- 194.09349 142.6
[M+NH4]+ 213.13459 161.1
[M+K]+ 234.06393 149.2
[M+H-H2O]+ 178.09803 136.0
[M+HCOO]- 240.09897 159.9
[M+CH3COO]- 254.11462 180.8
[M+Na-2H]- 216.07544 146.9
[M]+ 195.10022 142.0
[M]- 195.10132 142.0
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.