CID 284483

1709-88-2

Structural Information

Molecular Formula

C₁₃H₁₇NO₄S

SMILES

C1COCCN1C(=O)CS(=O)(=O)CC2=CC=CC=C2

InChI

InChI=1S/C13H17NO4S/c15-13(14-6-8-18-9-7-14)11-19(16,17)10-12-4-2-1-3-5-12/h1-5H,6-11H2

InChIKey

KQGYUJZLKGSELN-UHFFFAOYSA-N

Compound name

2-benzylsulfonyl-1-morpholin-4-ylethanone

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 1424
References: 0
Patents: 283.08783 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]+	284.095106	162.0
[M+Na]+	306.077048	166.9
[M-H]-	282.080554	167.0
[M+NH4]+	301.121653	174.8
[M+K]+	322.050988	165.2
[M+H-H2O]+	266.085090	154.3
[M+HCOO]-	328.086031	174.2
[M+CH3COO]-	342.101681	193.0
[M+Na-2H]-	304.062496	165.5
[M]+	283.08728142	162.1
[M]-	283.08837858	162.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.