CID 131359902

2091561-37-2

Structural Information

Molecular Formula

C₁₀H₉NO₃

SMILES

COC(=O)C1=NC2=C(CCC2=O)C=C1

InChI

InChI=1S/C10H9NO3/c1-14-10(13)7-4-2-6-3-5-8(12)9(6)11-7/h2,4H,3,5H2,1H3

InChIKey

WLSOCUNOYXQMHU-UHFFFAOYSA-N

Compound name

methyl 7-oxo-5,6-dihydrocyclopenta[b]pyridine-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 191.05824 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]+	192.065516	137.7
[M+Na]+	214.047458	147.1
[M-H]-	190.050964	141.3
[M+NH4]+	209.092063	159.0
[M+K]+	230.021398	145.3
[M+H-H2O]+	174.055500	131.7
[M+HCOO]-	236.056441	159.9
[M+CH3COO]-	250.072091	181.5
[M+Na-2H]-	212.032906	142.6
[M]+	191.05769142	139.6
[M]-	191.05878858	139.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.