CID 53443082

Mtsea

Structural Information

Molecular Formula

C₃H₉NO₂S₂

SMILES

CS(=O)(=S)OCCN

InChI

InChI=1S/C3H9NO2S2/c1-8(5,7)6-3-2-4/h2-4H2,1H3

InChIKey

HKERMLQDWIEJQS-UHFFFAOYSA-N

Compound name

2-methylsulfonothioyloxyethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 161
References: 138
Patents: 155.00748 Da
Monoisotopic Mass: 0.4
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]+	156.014756	128.5
[M+Na]+	177.996698	136.4
[M-H]-	154.000204	128.3
[M+NH4]+	173.041303	149.3
[M+K]+	193.970638	133.3
[M+H-H2O]+	138.004740	123.4
[M+HCOO]-	200.005681	141.1
[M+CH3COO]-	214.021331	173.7
[M+Na-2H]-	175.982146	130.7
[M]+	155.00693142	130.1
[M]-	155.00802858	130.1

Literature stripe

literature stripe

Patent stripe

patents stripe