CID 71634844

Tert-butyl 4-hydroxy-3,5-dimethylpiperidine-1-carboxylate

Structural Information

Molecular Formula

C₁₂H₂₃NO₃

SMILES

CC1CN(CC(C1O)C)C(=O)OC(C)(C)C

InChI

InChI=1S/C12H23NO3/c1-8-6-13(7-9(2)10(8)14)11(15)16-12(3,4)5/h8-10,14H,6-7H2,1-5H3

InChIKey

LAAWJBZTSKAZNN-UHFFFAOYSA-N

Compound name

tert-butyl 4-hydroxy-3,5-dimethylpiperidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 229.1678 Da
Monoisotopic Mass: 1.9
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	154.7
[M+Na]+	252.157018	160.7
[M-H]-	228.160524	155.4
[M+NH4]+	247.201623	171.6
[M+K]+	268.130958	159.8
[M+H-H2O]+	212.165060	149.3
[M+HCOO]-	274.166001	169.4
[M+CH3COO]-	288.181651	189.6
[M+Na-2H]-	250.142466	155.6
[M]+	229.16725142	153.6
[M]-	229.16834858	153.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe