CID 71303002

3-methoxy-5h,6h,7h-pyrrolo[3,4-b]pyridine dihydrochloride

Structural Information

Molecular Formula
C8H10N2O
SMILES
COC1=CC2=C(CNC2)N=C1
InChI
InChI=1S/C8H10N2O/c1-11-7-2-6-3-9-5-8(6)10-4-7/h2,4,9H,3,5H2,1H3
InChIKey
RQZWBPLOLZVSLQ-UHFFFAOYSA-N
Compound name
3-methoxy-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

150.07932 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.08660 129.7
[M+Na]+ 173.06854 138.4
[M-H]- 149.07204 130.2
[M+NH4]+ 168.11314 150.5
[M+K]+ 189.04248 135.8
[M+H-H2O]+ 133.07658 123.0
[M+HCOO]- 195.07752 150.0
[M+CH3COO]- 209.09317 143.0
[M+Na-2H]- 171.05399 136.8
[M]+ 150.07877 128.3
[M]- 150.07987 128.3
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.