CID 3674064

115724-21-5

Structural Information

Molecular Formula

C₈H₁₇NO₄S

SMILES

C1COCCN1CCCCS(=O)(=O)O

InChI

InChI=1S/C8H17NO4S/c10-14(11,12)8-2-1-3-9-4-6-13-7-5-9/h1-8H2,(H,10,11,12)

InChIKey

VTOWJTPBPWTSMK-UHFFFAOYSA-N

Compound name

4-morpholin-4-ylbutane-1-sulfonic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3853
Patents: 223.08783 Da
Monoisotopic Mass: -2.8
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]+	224.095106	147.4
[M+Na]+	246.077048	152.4
[M-H]-	222.080554	147.9
[M+NH4]+	241.121653	162.5
[M+K]+	262.050988	151.6
[M+H-H2O]+	206.085090	141.2
[M+HCOO]-	268.086031	158.9
[M+CH3COO]-	282.101681	180.2
[M+Na-2H]-	244.062496	151.3
[M]+	223.08728142	147.8
[M]-	223.08837858	147.8

Literature stripe

literature stripe

Patent stripe

patents stripe