CID 77230428

Methyl 5h,6h,7h-cyclopenta[b]pyridine-2-carboxylate

Structural Information

Molecular Formula

C₁₀H₁₁NO₂

SMILES

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

InChI

InChI=1S/C10H11NO2/c1-13-10(12)9-6-5-7-3-2-4-8(7)11-9/h5-6H,2-4H2,1H3

InChIKey

SKDLNMGWOZEBPZ-UHFFFAOYSA-N

Compound name

methyl 6,7-dihydro-5H-cyclopenta[b]pyridine-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 177.07898 Da
Monoisotopic Mass: 1.7
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]+	178.086256	136.5
[M+Na]+	200.068198	144.8
[M-H]-	176.071704	139.8
[M+NH4]+	195.112803	158.2
[M+K]+	216.042138	143.1
[M+H-H2O]+	160.076240	130.3
[M+HCOO]-	222.077181	158.4
[M+CH3COO]-	236.092831	179.2
[M+Na-2H]-	198.053646	141.9
[M]+	177.07843142	137.2
[M]-	177.07952858	137.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe