CID 13971210

115909-91-6

Structural Information

Molecular Formula

C₁₅H₂₁NO₃

SMILES

C1CN(CCC1CCO)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C15H21NO3/c17-11-8-13-6-9-16(10-7-13)15(18)19-12-14-4-2-1-3-5-14/h1-5,13,17H,6-12H2

InChIKey

SYXSMTCXQUGEIJ-UHFFFAOYSA-N

Compound name

benzyl 4-(2-hydroxyethyl)piperidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 203
Patents: 263.15213 Da
Monoisotopic Mass: 2.0
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]+	264.159406	162.6
[M+Na]+	286.141348	166.1
[M-H]-	262.144854	165.3
[M+NH4]+	281.185953	176.6
[M+K]+	302.115288	163.2
[M+H-H2O]+	246.149390	154.2
[M+HCOO]-	308.150331	179.4
[M+CH3COO]-	322.165981	192.1
[M+Na-2H]-	284.126796	164.8
[M]+	263.15158142	159.6
[M]-	263.15267858	159.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe