CID 105489501

1782481-29-1

Structural Information

Molecular Formula

C₁₁H₂₁NO₄

SMILES

CC(C)(C)OC(=O)N1CCC(C1)(CO)OC

InChI

InChI=1S/C11H21NO4/c1-10(2,3)16-9(14)12-6-5-11(7-12,8-13)15-4/h13H,5-8H2,1-4H3

InChIKey

XXRZYWCOLXWUBH-UHFFFAOYSA-N

Compound name

tert-butyl 3-(hydroxymethyl)-3-methoxypyrrolidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 231.14706 Da
Monoisotopic Mass: 0.3
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	153.5
[M+Na]+	254.136278	159.8
[M-H]-	230.139784	154.2
[M+NH4]+	249.180883	173.5
[M+K]+	270.110218	159.8
[M+H-H2O]+	214.144320	149.1
[M+HCOO]-	276.145261	171.0
[M+CH3COO]-	290.160911	185.3
[M+Na-2H]-	252.121726	156.6
[M]+	231.14651142	155.1
[M]-	231.14760858	155.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe