CID 332517

78374-13-7

Structural Information

Molecular Formula

C₆H₁₁NO₅S

SMILES

C1COCCN1S(=O)(=O)CC(=O)O

InChI

InChI=1S/C6H11NO5S/c8-6(9)5-13(10,11)7-1-3-12-4-2-7/h1-5H2,(H,8,9)

InChIKey

UQBMJWYJLXPYPB-UHFFFAOYSA-N

Compound name

2-morpholin-4-ylsulfonylacetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 209.0358 Da
Monoisotopic Mass: -1.3
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]+	210.04308	142.0
[M+Na]+	232.02502	149.7
[M+NH4]+	227.06962	147.4
[M+K]+	247.99896	146.2
[M-H]-	208.02852	140.8
[M+Na-2H]-	230.01047	143.3
[M]+	209.03525	142.8
[M]-	209.03635	142.8

Literature stripe

literature stripe

Patent stripe

patents stripe