CID 109333

Mopso

Structural Information

Molecular Formula

C₇H₁₅NO₅S

SMILES

C1COCCN1CC(CS(=O)(=O)O)O

InChI

InChI=1S/C7H15NO5S/c9-7(6-14(10,11)12)5-8-1-3-13-4-2-8/h7,9H,1-6H2,(H,10,11,12)

InChIKey

NUFBIAUZAMHTSP-UHFFFAOYSA-N

Compound name

2-hydroxy-3-morpholin-4-ylpropane-1-sulfonic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 4
References: 13461
Patents: 225.0671 Da
Monoisotopic Mass: -4.1
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]+	226.07438	146.0
[M+Na]+	248.05632	150.5
[M-H]-	224.05982	145.3
[M+NH4]+	243.10092	160.1
[M+K]+	264.03026	150.0
[M+H-H2O]+	208.06436	140.2
[M+HCOO]-	270.06530	155.5
[M+CH3COO]-	284.08095	177.8
[M+Na-2H]-	246.04177	149.2
[M]+	225.06655	145.1
[M]-	225.06765	145.1

Literature stripe

literature stripe

Patent stripe

patents stripe