CID 20071183

Silver acetylmethionate

Structural Information

Molecular Formula

C₃H₆O₇S₂

SMILES

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

InChI

InChI=1S/C3H6O7S2/c1-2(4)3(11(5,6)7)12(8,9)10/h3H,1H3,(H,5,6,7)(H,8,9,10)

InChIKey

XGPWIEKKIBAGSY-UHFFFAOYSA-N

Compound name

2-oxopropane-1,1-disulfonic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 96
Patents: 217.95549 Da
Monoisotopic Mass: -2.1
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]+	218.96277	139.0
[M+Na]+	240.94471	145.7
[M-H]-	216.94821	136.2
[M+NH4]+	235.98931	155.3
[M+K]+	256.91865	143.4
[M+H-H2O]+	200.95275	134.6
[M+HCOO]-	262.95369	146.6
[M+CH3COO]-	276.96934	174.6
[M+Na-2H]-	238.93016	141.6
[M]+	217.95494	141.9
[M]-	217.95604	141.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe