CID 53393265

143306-65-4

Structural Information

Molecular Formula

C₁₂H₂₃NO₃

SMILES

CC1(CN(CCC1O)C(=O)OC(C)(C)C)C

InChI

InChI=1S/C12H23NO3/c1-11(2,3)16-10(15)13-7-6-9(14)12(4,5)8-13/h9,14H,6-8H2,1-5H3

InChIKey

QZMUVNRDYLNZDA-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 86
Patents: 229.1678 Da
Monoisotopic Mass: 1.8
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	153.8
[M+Na]+	252.157018	159.9
[M-H]-	228.160524	154.5
[M+NH4]+	247.201623	172.5
[M+K]+	268.130958	159.4
[M+H-H2O]+	212.165060	149.3
[M+HCOO]-	274.166001	168.7
[M+CH3COO]-	288.181651	187.9
[M+Na-2H]-	250.142466	156.9
[M]+	229.16725142	152.8
[M]-	229.16834858	152.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe