CID 61694271

4-(2-methoxyethanesulfonyl)morpholine

Structural Information

Molecular Formula

C₇H₁₅NO₄S

SMILES

COCCS(=O)(=O)N1CCOCC1

InChI

InChI=1S/C7H15NO4S/c1-11-6-7-13(9,10)8-2-4-12-5-3-8/h2-7H2,1H3

InChIKey

OWWGAONRUNBYBA-UHFFFAOYSA-N

Compound name

4-(2-methoxyethylsulfonyl)morpholine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 209.07217 Da
Monoisotopic Mass: -1.0
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]+	210.079446	142.5
[M+Na]+	232.061388	148.5
[M-H]-	208.064894	144.7
[M+NH4]+	227.105993	158.9
[M+K]+	248.035328	148.8
[M+H-H2O]+	192.069430	136.3
[M+HCOO]-	254.070371	155.9
[M+CH3COO]-	268.086021	179.8
[M+Na-2H]-	230.046836	147.4
[M]+	209.07162142	144.5
[M]-	209.07271858	144.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe