CID 10704905

69622-67-9

Structural Information

Molecular Formula

C₁₃H₁₇NO₃

SMILES

C1CCN(C(C1)O)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C13H17NO3/c15-12-8-4-5-9-14(12)13(16)17-10-11-6-2-1-3-7-11/h1-3,6-7,12,15H,4-5,8-10H2

InChIKey

DJHBQZYPXJJJMZ-UHFFFAOYSA-N

Compound name

benzyl 2-hydroxypiperidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 235.12085 Da
Monoisotopic Mass: 2.5
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]+	236.128126	153.6
[M+Na]+	258.110068	158.0
[M-H]-	234.113574	156.6
[M+NH4]+	253.154673	168.8
[M+K]+	274.084008	155.5
[M+H-H2O]+	218.118110	145.6
[M+HCOO]-	280.119051	171.0
[M+CH3COO]-	294.134701	186.1
[M+Na-2H]-	256.095516	156.9
[M]+	235.12030142	149.9
[M]-	235.12139858	149.9

Literature stripe

literature stripe

Patent stripe

patents stripe