CID 90317136

N-t-boc-(2r)-hydroxymethyl-(5r)-methylmorpholine

Structural Information

Molecular Formula

C₁₁H₂₁NO₄

SMILES

C[C@@H]1CO[C@H](CN1C(=O)OC(C)(C)C)CO

InChI

InChI=1S/C11H21NO4/c1-8-7-15-9(6-13)5-12(8)10(14)16-11(2,3)4/h8-9,13H,5-7H2,1-4H3/t8-,9-/m1/s1

InChIKey

QGEFRGPCFOEDNF-RKDXNWHRSA-N

Compound name

tert-butyl (2R,5R)-2-(hydroxymethyl)-5-methylmorpholine-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 54
Patents: 231.14706 Da
Monoisotopic Mass: 0.6
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]+	232.154336	153.9
[M+Na]+	254.136278	159.5
[M-H]-	230.139784	155.0
[M+NH4]+	249.180883	169.1
[M+K]+	270.110218	160.1
[M+H-H2O]+	214.144320	148.1
[M+HCOO]-	276.145261	168.3
[M+CH3COO]-	290.160911	187.5
[M+Na-2H]-	252.121726	157.0
[M]+	231.14651142	154.1
[M]-	231.14760858	154.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe