CID 70807

Mops

Structural Information

Molecular Formula

C₇H₁₅NO₄S

SMILES

C1COCCN1CCCS(=O)(=O)O

InChI

InChI=1S/C7H15NO4S/c9-13(10,11)7-1-2-8-3-5-12-6-4-8/h1-7H2,(H,9,10,11)

InChIKey

DVLFYONBTKHTER-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 323
References: 48798
Patents: 209.07217 Da
Monoisotopic Mass: -3.1
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]+	210.07945	143.0
[M+Na]+	232.06139	148.5
[M-H]-	208.06489	143.8
[M+NH4]+	227.10599	158.6
[M+K]+	248.03533	147.9
[M+H-H2O]+	192.06943	137.1
[M+HCOO]-	254.07037	154.8
[M+CH3COO]-	268.08602	177.2
[M+Na-2H]-	230.04684	147.4
[M]+	209.07162	143.1
[M]-	209.07272	143.1

Literature stripe

literature stripe

Patent stripe

patents stripe