CID 44182320

885272-65-1

Structural Information

Molecular Formula

C₁₁H₁₉NO₄

SMILES

CC(C)(C)OC(=O)N1CCOC(C1)CC=O

InChI

InChI=1S/C11H19NO4/c1-11(2,3)16-10(14)12-5-7-15-9(8-12)4-6-13/h6,9H,4-5,7-8H2,1-3H3

InChIKey

XEPDBSLMMIBFBX-UHFFFAOYSA-N

Compound name

tert-butyl 2-(2-oxoethyl)morpholine-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 43
Patents: 229.13141 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]+	230.138686	152.0
[M+Na]+	252.120628	157.4
[M-H]-	228.124134	154.2
[M+NH4]+	247.165233	167.6
[M+K]+	268.094568	158.3
[M+H-H2O]+	212.128670	145.8
[M+HCOO]-	274.129611	168.2
[M+CH3COO]-	288.145261	187.9
[M+Na-2H]-	250.106076	156.4
[M]+	229.13086142	153.1
[M]-	229.13195858	153.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe