CID 854140

1-(tert-butoxycarbonyl)-4-(2-hydroxyethyl)piperidine

Structural Information

Molecular Formula

C₁₂H₂₃NO₃

SMILES

CC(C)(C)OC(=O)N1CCC(CC1)CCO

InChI

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

InChIKey

YBNJZIDYXCGAPX-UHFFFAOYSA-N

Compound name

tert-butyl 4-(2-hydroxyethyl)piperidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1960
Patents: 229.1678 Da
Monoisotopic Mass: 1.5
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]+	230.17508	156.3
[M+Na]+	252.15702	160.4
[M-H]-	228.16052	156.1
[M+NH4]+	247.20162	172.5
[M+K]+	268.13096	159.4
[M+H-H2O]+	212.16506	150.2
[M+HCOO]-	274.16600	171.0
[M+CH3COO]-	288.18165	187.1
[M+Na-2H]-	250.14247	158.4
[M]+	229.16725	154.3
[M]-	229.16835	154.3

Literature stripe

literature stripe

Patent stripe

patents stripe