CID 126838253

Tert-butyl 4-hydroxy-2-(hydroxymethyl)-2-methylpyrrolidine-1-carboxylate

Structural Information

Molecular Formula

C₁₁H₂₁NO₄

SMILES

CC1(CC(CN1C(=O)OC(C)(C)C)O)CO

InChI

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

InChIKey

DIVFMRKFZNRXMB-UHFFFAOYSA-N

Compound name

tert-butyl 4-hydroxy-2-(hydroxymethyl)-2-methylpyrrolidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 231.14706 Da
Monoisotopic Mass: 0.2
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	153.3
[M+Na]+	254.136278	160.0
[M-H]-	230.139784	153.0
[M+NH4]+	249.180883	172.9
[M+K]+	270.110218	159.2
[M+H-H2O]+	214.144320	149.5
[M+HCOO]-	276.145261	169.2
[M+CH3COO]-	290.160911	184.1
[M+Na-2H]-	252.121726	155.4
[M]+	231.14651142	153.4
[M]-	231.14760858	153.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.