CID 205701

18513-77-4

Structural Information

Molecular Formula

C₈H₁₃NO₂

SMILES

CCOC(=O)C1=CCCNC1

InChI

InChI=1S/C8H13NO2/c1-2-11-8(10)7-4-3-5-9-6-7/h4,9H,2-3,5-6H2,1H3

InChIKey

DBJSKLKTQJMDTJ-UHFFFAOYSA-N

Compound name

ethyl 1,2,3,6-tetrahydropyridine-5-carboxylate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 54
Patents: 155.09464 Da
Monoisotopic Mass: 0.4
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	134.1
[M+Na]+	178.08386	144.4
[M+NH4]+	173.12846	141.6
[M+K]+	194.05780	139.2
[M-H]-	154.08736	134.3
[M+Na-2H]-	176.06931	138.8
[M]+	155.09409	135.3
[M]-	155.09519	135.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe