CID 68438748

2091703-25-0

Structural Information

Molecular Formula

C₁₁H₂₁NO₃

SMILES

C[C@@H]1[C@@H](CCCN1C(=O)OC(C)(C)C)O

InChI

InChI=1S/C11H21NO3/c1-8-9(13)6-5-7-12(8)10(14)15-11(2,3)4/h8-9,13H,5-7H2,1-4H3/t8-,9-/m1/s1

InChIKey

ADVNLLSPFSWKPK-RKDXNWHRSA-N

Compound name

tert-butyl (2R,3R)-3-hydroxy-2-methylpiperidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 32
Patents: 215.15215 Da
Monoisotopic Mass: 1.4
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]+	216.159426	150.9
[M+Na]+	238.141368	156.5
[M-H]-	214.144874	151.4
[M+NH4]+	233.185973	168.1
[M+K]+	254.115308	155.8
[M+H-H2O]+	198.149410	145.4
[M+HCOO]-	260.150351	166.0
[M+CH3COO]-	274.166001	185.3
[M+Na-2H]-	236.126816	153.0
[M]+	215.15160142	149.1
[M]-	215.15269858	149.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe