CID 19390372

846056-86-8

Structural Information

Molecular Formula

C₄H₁₁NO₃S

SMILES

CC(C)(CN)S(=O)(=O)O

InChI

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

InChIKey

ZFJWYAYBWZHPGT-UHFFFAOYSA-N

Compound name

1-amino-2-methylpropane-2-sulfonic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 604
Patents: 153.04596 Da
Monoisotopic Mass: -3.5
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	129.9
[M+Na]+	176.03518	137.5
[M-H]-	152.03868	128.8
[M+NH4]+	171.07978	150.2
[M+K]+	192.00912	136.0
[M+H-H2O]+	136.04322	125.9
[M+HCOO]-	198.04416	145.6
[M+CH3COO]-	212.05981	171.5
[M+Na-2H]-	174.02063	134.7
[M]+	153.04541	130.4
[M]-	153.04651	130.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe