CID 237042

2-(dimethylamino)ethanesulfonic acid

Structural Information

Molecular Formula

C₄H₁₁NO₃S

SMILES

CN(C)CCS(=O)(=O)O

InChI

InChI=1S/C4H11NO3S/c1-5(2)3-4-9(6,7)8/h3-4H2,1-2H3,(H,6,7,8)

InChIKey

CFAFEJHONLMPQY-UHFFFAOYSA-N

Compound name

2-(dimethylamino)ethanesulfonic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 812
Patents: 153.04596 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]+	154.05324	131.4
[M+Na]+	176.03518	139.3
[M+NH4]+	171.07978	138.2
[M+K]+	192.00912	134.6
[M-H]-	152.03868	129.5
[M+Na-2H]-	174.02063	133.5
[M]+	153.04541	132.1
[M]-	153.04651	132.1

Literature stripe

literature stripe

Patent stripe

patents stripe