CID 4962731

3-(morpholine-4-sulfonyl)propanoic acid

Structural Information

Molecular Formula

C₇H₁₃NO₅S

SMILES

C1COCCN1S(=O)(=O)CCC(=O)O

InChI

InChI=1S/C7H13NO5S/c9-7(10)1-6-14(11,12)8-2-4-13-5-3-8/h1-6H2,(H,9,10)

InChIKey

BXZBRLVPYVFGDN-UHFFFAOYSA-N

Compound name

3-morpholin-4-ylsulfonylpropanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 223.05144 Da
Monoisotopic Mass: -1.4
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]+	224.05872	146.2
[M+Na]+	246.04066	153.7
[M+NH4]+	241.08526	151.4
[M+K]+	262.01460	150.0
[M-H]-	222.04416	145.0
[M+Na-2H]-	244.02611	147.3
[M]+	223.05089	146.9
[M]-	223.05199	146.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.