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]+ 179.081506 136.9
[M+Na]+ 201.063448 145.2
[M-H]- 177.066954 137.5
[M+NH4]+ 196.108053 156.5
[M+K]+ 217.037388 142.7
[M+H-H2O]+ 161.071490 130.1
[M+HCOO]- 223.072431 156.2
[M+CH3COO]- 237.088081 176.3
[M+Na-2H]- 199.048896 142.3
[M]+ 178.07368142 135.9
[M]- 178.07477858 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.