CID 199334

4039-24-1

Structural Information

Molecular Formula

C₄H₁₁NO₃S₂

SMILES

CC(C)(CSS(=O)(=O)O)N

InChI

InChI=1S/C4H11NO3S2/c1-4(2,5)3-9-10(6,7)8/h3,5H2,1-2H3,(H,6,7,8)

InChIKey

CKFRFNDDOPNLLB-UHFFFAOYSA-N

Compound name

2-amino-2-methyl-1-sulfosulfanylpropane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 185.01804 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]+	186.02532	137.6
[M+Na]+	208.00726	144.5
[M-H]-	184.01076	135.7
[M+NH4]+	203.05186	156.2
[M+K]+	223.98120	141.0
[M+H-H2O]+	168.01530	132.7
[M+HCOO]-	230.01624	147.2
[M+CH3COO]-	244.03189	176.6
[M+Na-2H]-	205.99271	140.1
[M]+	185.01749	138.5
[M]-	185.01859	138.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.