CID 47002325

[3-(methanesulfonylmethyl)phenyl]methanamine

Structural Information

Molecular Formula

C₉H₁₃NO₂S

SMILES

CS(=O)(=O)CC1=CC=CC(=C1)CN

InChI

InChI=1S/C9H13NO2S/c1-13(11,12)7-9-4-2-3-8(5-9)6-10/h2-5H,6-7,10H2,1H3

InChIKey

IGZNDNGPEIYQPX-UHFFFAOYSA-N

Compound name

[3-(methylsulfonylmethyl)phenyl]methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 199.0667 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]+	200.07398	142.5
[M+Na]+	222.05592	153.4
[M+NH4]+	217.10052	150.4
[M+K]+	238.02986	146.1
[M-H]-	198.05942	144.0
[M+Na-2H]-	220.04137	148.1
[M]+	199.06615	144.9
[M]-	199.06725	144.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe