CID 71758193

Methyl 5h,6h,7h-pyrrolo[3,4-b]pyridine-2-carboxylate dihydrochloride

Structural Information

Molecular Formula
C9H10N2O2
SMILES
COC(=O)C1=NC2=C(CNC2)C=C1
InChI
InChI=1S/C9H10N2O2/c1-13-9(12)7-3-2-6-4-10-5-8(6)11-7/h2-3,10H,4-5H2,1H3
InChIKey
VYVDRIJLLSDWBT-UHFFFAOYSA-N
Compound name
methyl 6,7-dihydro-5H-pyrrolo[3,4-b]pyridine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

178.07423 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.08151 136.9
[M+Na]+ 201.06345 145.2
[M-H]- 177.06695 137.5
[M+NH4]+ 196.10805 156.5
[M+K]+ 217.03739 142.7
[M+H-H2O]+ 161.07149 130.1
[M+HCOO]- 223.07243 156.2
[M+CH3COO]- 237.08808 176.3
[M+Na-2H]- 199.04890 142.3
[M]+ 178.07368 135.9
[M]- 178.07478 135.9
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

No patent data available for this compound.