CID 4347855

49773-19-5

Structural Information

Molecular Formula

SMILES

CS(=O)CCN

InChI

InChI=1S/C3H9NOS/c1-6(5)3-2-4/h2-4H2,1H3

InChIKey

PGAOVVJJOXMLCQ-UHFFFAOYSA-N

Compound name

2-methylsulfinylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 105
Patents: 107.04048 Da
Monoisotopic Mass: -1.6
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]+	108.04776	119.5
[M+Na]+	130.02970	128.6
[M+NH4]+	125.07430	128.0
[M+K]+	146.00364	122.3
[M-H]-	106.03320	119.6
[M+Na-2H]-	128.01515	122.7
[M]+	107.03993	121.0
[M]-	107.04103	121.0

Literature stripe

literature stripe

Patent stripe

patents stripe