CID 50999116

273207-58-2

Structural Information

Molecular Formula

C₁₃H₂₃NO₃

SMILES

CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1CC(C2)CO

InChI

InChI=1S/C13H23NO3/c1-13(2,3)17-12(16)14-10-4-5-11(14)7-9(6-10)8-15/h9-11,15H,4-8H2,1-3H3/t9?,10-,11+

InChIKey

WPHYDBXMMSEFTR-FGWVZKOKSA-N

Compound name

tert-butyl (1S,5R)-3-(hydroxymethyl)-8-azabicyclo[3.2.1]octane-8-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 120
Patents: 241.1678 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]+	242.17508	156.9
[M+Na]+	264.15702	164.1
[M+NH4]+	259.20162	163.8
[M+K]+	280.13096	162.0
[M-H]-	240.16052	154.8
[M+Na-2H]-	262.14247	156.1
[M]+	241.16725	156.9
[M]-	241.16835	156.9

Literature stripe

literature stripe

Patent stripe

patents stripe