CID 63289984

2-(3-methoxypropanesulfonamido)acetic acid

Structural Information

Molecular Formula

C₆H₁₃NO₅S

SMILES

COCCCS(=O)(=O)NCC(=O)O

InChI

InChI=1S/C6H13NO5S/c1-12-3-2-4-13(10,11)7-5-6(8)9/h7H,2-5H2,1H3,(H,8,9)

InChIKey

ASMTYQHJPRDTBN-UHFFFAOYSA-N

Compound name

2-(3-methoxypropylsulfonylamino)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 211.05144 Da
Monoisotopic Mass: -0.9
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]+	212.058716	142.5
[M+Na]+	234.040658	148.6
[M-H]-	210.044164	141.2
[M+NH4]+	229.085263	160.3
[M+K]+	250.014598	147.4
[M+H-H2O]+	194.048700	137.1
[M+HCOO]-	256.049641	159.3
[M+CH3COO]-	270.065291	182.0
[M+Na-2H]-	232.026106	145.9
[M]+	211.05089142	146.9
[M]-	211.05198858	146.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.