CID 201117

3309-23-7

Structural Information

Molecular Formula

C₁₄H₁₉NO₂

SMILES

CN1CCCC(C1)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C14H19NO2/c1-15-9-5-8-13(10-15)14(16)17-11-12-6-3-2-4-7-12/h2-4,6-7,13H,5,8-11H2,1H3

InChIKey

GKNNRYJKHVPYCJ-UHFFFAOYSA-N

Compound name

benzyl 1-methylpiperidine-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 233.14159 Da
Monoisotopic Mass: 2.1
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]+	234.14887	154.5
[M+Na]+	256.13081	158.9
[M-H]-	232.13431	158.7
[M+NH4]+	251.17541	170.4
[M+K]+	272.10475	156.4
[M+H-H2O]+	216.13885	146.1
[M+HCOO]-	278.13979	172.8
[M+CH3COO]-	292.15544	190.2
[M+Na-2H]-	254.11626	157.6
[M]+	233.14104	151.5
[M]-	233.14214	151.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe