CID 15637681

68471-58-9

Structural Information

Molecular Formula

C₁₃H₁₅NO₂

SMILES

C1CC=CN(C1)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C13H15NO2/c15-13(14-9-5-2-6-10-14)16-11-12-7-3-1-4-8-12/h1,3-5,7-9H,2,6,10-11H2

InChIKey

LLRZWESXFFNSKX-UHFFFAOYSA-N

Compound name

benzyl 3,4-dihydro-2H-pyridine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 217.11028 Da
Monoisotopic Mass: 2.4
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]+	218.11756	149.7
[M+Na]+	240.09950	162.6
[M+NH4]+	235.14410	158.1
[M+K]+	256.07344	155.5
[M-H]-	216.10300	153.2
[M+Na-2H]-	238.08495	158.1
[M]+	217.10973	152.4
[M]-	217.11083	152.4

Literature stripe

literature stripe

Patent stripe

patents stripe