CID 89060829

1936009-13-0

Structural Information

Molecular Formula

C₉H₁₀N₂O₂

SMILES

COC(=O)C1=CC2=C(NCC2)N=C1

InChI

InChI=1S/C9H10N2O2/c1-13-9(12)7-4-6-2-3-10-8(6)11-5-7/h4-5H,2-3H2,1H3,(H,10,11)

InChIKey

YLGUVPMSTABGHT-UHFFFAOYSA-N

Compound name

methyl 2,3-dihydro-1H-pyrrolo[2,3-b]pyridine-5-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 178.07423 Da
Monoisotopic Mass: 1.1
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]+	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

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe