CID 132372734

2172562-66-0

Structural Information

Molecular Formula

C₆H₉NO₂S₂

SMILES

CS(=O)(=O)C1=C(C=CS1)CN

InChI

InChI=1S/C6H9NO2S2/c1-11(8,9)6-5(4-7)2-3-10-6/h2-3H,4,7H2,1H3

InChIKey

AJSBTUJEKCFKAC-UHFFFAOYSA-N

Compound name

(2-methylsulfonylthiophen-3-yl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 191.00748 Da
Monoisotopic Mass: 0.0
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]+	192.01476	140.7
[M+Na]+	213.99670	149.3
[M+NH4]+	209.04130	148.8
[M+K]+	229.97064	142.9
[M-H]-	190.00020	141.5
[M+Na-2H]-	211.98215	143.7
[M]+	191.00693	142.9
[M]-	191.00803	142.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.