CID 53429456

1784401-31-5

Structural Information

Molecular Formula

C₁₁H₂₁NO₄

SMILES

CC(C)(C)OC(=O)N1CCOCC1CCO

InChI

InChI=1S/C11H21NO4/c1-11(2,3)16-10(14)12-5-7-15-8-9(12)4-6-13/h9,13H,4-8H2,1-3H3

InChIKey

ISQYKHGGGYDEKA-UHFFFAOYSA-N

Compound name

tert-butyl 3-(2-hydroxyethyl)morpholine-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 231.14706 Da
Monoisotopic Mass: 0.5
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]+	232.15434	154.5
[M+Na]+	254.13628	159.0
[M-H]-	230.13978	155.2
[M+NH4]+	249.18088	169.3
[M+K]+	270.11022	159.7
[M+H-H2O]+	214.14432	148.3
[M+HCOO]-	276.14526	168.9
[M+CH3COO]-	290.16091	186.2
[M+Na-2H]-	252.12173	158.2
[M]+	231.14651	154.3
[M]-	231.14761	154.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe