CID 20305712

2-[4-(aminomethyl)benzenesulfonyl]ethan-1-ol

Structural Information

Molecular Formula

C₉H₁₃NO₃S

SMILES

C1=CC(=CC=C1CN)S(=O)(=O)CCO

InChI

InChI=1S/C9H13NO3S/c10-7-8-1-3-9(4-2-8)14(12,13)6-5-11/h1-4,11H,5-7,10H2

InChIKey

JFHKQOYOOBBCIF-UHFFFAOYSA-N

Compound name

2-[4-(aminomethyl)phenyl]sulfonylethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 215.06161 Da
Monoisotopic Mass: -0.7
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	155.4
[M+NH4]+	233.09543	152.5
[M+K]+	254.02477	149.0
[M-H]-	214.05433	146.0
[M+Na-2H]-	236.03628	150.1
[M]+	215.06106	147.4
[M]-	215.06216	147.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe