CID 243333

7149-18-0

Structural Information

Molecular Formula

C₈H₁₃NO₂

SMILES

CCOC(=O)C1=C(CCC1)N

InChI

InChI=1S/C8H13NO2/c1-2-11-8(10)6-4-3-5-7(6)9/h2-5,9H2,1H3

InChIKey

FMEHILPGLKGSCA-UHFFFAOYSA-N

Compound name

ethyl 2-aminocyclopentene-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 50
Patents: 155.09464 Da
Monoisotopic Mass: 1.3
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]+	156.10192	133.8
[M+Na]+	178.08386	142.5
[M+NH4]+	173.12846	141.5
[M+K]+	194.05780	139.7
[M-H]-	154.08736	134.6
[M+Na-2H]-	176.06931	137.5
[M]+	155.09409	134.8
[M]-	155.09519	134.8

Literature stripe

literature stripe

Patent stripe

patents stripe