CID 100211

Ampso

Structural Information

Molecular Formula

C₇H₁₇NO₅S

SMILES

CC(C)(CO)NCC(CS(=O)(=O)O)O

InChI

InChI=1S/C7H17NO5S/c1-7(2,5-9)8-3-6(10)4-14(11,12)13/h6,8-10H,3-5H2,1-2H3,(H,11,12,13)

InChIKey

ACERFIHBIWMFOR-UHFFFAOYSA-N

Compound name

2-hydroxy-3-[(1-hydroxy-2-methylpropan-2-yl)amino]propane-1-sulfonic acid

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 3
References: 4780
Patents: 227.08275 Da
Monoisotopic Mass: -4.3
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]+	228.09003	148.8
[M+Na]+	250.07197	153.4
[M-H]-	226.07547	144.5
[M+NH4]+	245.11657	164.5
[M+K]+	266.04591	151.3
[M+H-H2O]+	210.08001	144.1
[M+HCOO]-	272.08095	160.4
[M+CH3COO]-	286.09660	181.5
[M+Na-2H]-	248.05742	151.8
[M]+	227.08220	149.8
[M]-	227.08330	149.8

Literature stripe

literature stripe

Patent stripe

patents stripe