CID 1514243

(s)-1-n-boc-piperidine-2-ethanol

Structural Information

Molecular Formula

C₁₂H₂₃NO₃

SMILES

CC(C)(C)OC(=O)N1CCCC[C@H]1CCO

InChI

InChI=1S/C12H23NO3/c1-12(2,3)16-11(15)13-8-5-4-6-10(13)7-9-14/h10,14H,4-9H2,1-3H3/t10-/m0/s1

InChIKey

LTVQOFUGXMVESU-JTQLQIEISA-N

Compound name

tert-butyl (2S)-2-(2-hydroxyethyl)piperidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 314
Patents: 229.1678 Da
Monoisotopic Mass: 1.7
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]+	230.175076	156.3
[M+Na]+	252.157018	160.4
[M-H]-	228.160524	156.1
[M+NH4]+	247.201623	172.5
[M+K]+	268.130958	159.4
[M+H-H2O]+	212.165060	150.2
[M+HCOO]-	274.166001	171.0
[M+CH3COO]-	288.181651	187.1
[M+Na-2H]-	250.142466	158.4
[M]+	229.16725142	154.3
[M]-	229.16834858	154.3

Literature stripe

literature stripe

Patent stripe

patents stripe