CID 13153316

90685-59-9

Structural Information

Molecular Formula

C₁₀H₁₁NO₂

SMILES

CC(=O)OC1CCC2=C1N=CC=C2

InChI

InChI=1S/C10H11NO2/c1-7(12)13-9-5-4-8-3-2-6-11-10(8)9/h2-3,6,9H,4-5H2,1H3

InChIKey

OBVUPALDLPJGQG-UHFFFAOYSA-N

Compound name

6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 45
Patents: 177.07898 Da
Monoisotopic Mass: 1.0
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]+	178.08626	136.5
[M+Na]+	200.06820	144.8
[M-H]-	176.07170	139.8
[M+NH4]+	195.11280	158.2
[M+K]+	216.04214	143.1
[M+H-H2O]+	160.07624	130.3
[M+HCOO]-	222.07718	158.4
[M+CH3COO]-	236.09283	179.2
[M+Na-2H]-	198.05365	141.9
[M]+	177.07843	137.2
[M]-	177.07953	137.2

Literature stripe

literature stripe

Patent stripe

patents stripe