CID 130058430

1824438-79-0

Structural Information

Molecular Formula

C₉H₈N₂O₃

SMILES

COC(=O)C1=NC=CC2=C1CNC2=O

InChI

InChI=1S/C9H8N2O3/c1-14-9(13)7-6-4-11-8(12)5(6)2-3-10-7/h2-3H,4H2,1H3,(H,11,12)

InChIKey

RDBTWCDKNGOGMB-UHFFFAOYSA-N

Compound name

methyl 1-oxo-2,3-dihydropyrrolo[3,4-c]pyridine-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 192.0535 Da
Monoisotopic Mass: -0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	193.06078	138.4
[M+Na]+	215.04272	147.7
[M-H]-	191.04622	139.4
[M+NH4]+	210.08732	157.5
[M+K]+	231.01666	145.2
[M+H-H2O]+	175.05076	131.9
[M+HCOO]-	237.05170	158.1
[M+CH3COO]-	251.06735	178.8
[M+Na-2H]-	213.02817	143.2
[M]+	192.05295	138.6
[M]-	192.05405	138.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe