CID 2735412

92953-13-4

Structural Information

Molecular Formula

C₄H₁₁NO₂S₂

SMILES

CS(=O)(=O)SCCCN

InChI

InChI=1S/C4H11NO2S2/c1-9(6,7)8-4-2-3-5/h2-5H2,1H3

InChIKey

VNSAROOCJXPTPB-UHFFFAOYSA-N

Compound name

3-methylsulfonylsulfanylpropan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 9
Patents: 169.02312 Da
Monoisotopic Mass: -0.5
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]+	170.03040	135.8
[M+Na]+	192.01234	143.4
[M+NH4]+	187.05694	143.3
[M+K]+	207.98628	135.8
[M-H]-	168.01584	134.7
[M+Na-2H]-	189.99779	137.1
[M]+	169.02257	137.2
[M]-	169.02367	137.2

Literature stripe

literature stripe

Patent stripe

patents stripe