CID 43806902

1-(2-aminoethoxy)-4-methanesulfonylbenzene

Structural Information

Molecular Formula

C₉H₁₃NO₃S

SMILES

CS(=O)(=O)C1=CC=C(C=C1)OCCN

InChI

InChI=1S/C9H13NO3S/c1-14(11,12)9-4-2-8(3-5-9)13-7-6-10/h2-5H,6-7,10H2,1H3

InChIKey

PBXVLTAMALBJHN-UHFFFAOYSA-N

Compound name

2-(4-methylsulfonylphenoxy)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 215.06161 Da
Monoisotopic Mass: -0.2
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]+	216.06889	145.6
[M+Na]+	238.05083	156.0
[M+NH4]+	233.09543	152.9
[M+K]+	254.02477	149.3
[M-H]-	214.05433	146.6
[M+Na-2H]-	236.03628	150.7
[M]+	215.06106	147.7
[M]-	215.06216	147.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe