CID 16774571

[1-(4-methanesulfonylphenyl)ethyl](methyl)amine hydrochloride

Structural Information

Molecular Formula
C10H15NO2S
SMILES
CC(C1=CC=C(C=C1)S(=O)(=O)C)NC
InChI
InChI=1S/C10H15NO2S/c1-8(11-2)9-4-6-10(7-5-9)14(3,12)13/h4-8,11H,1-3H3
InChIKey
UPFXBEQEVWAQCH-UHFFFAOYSA-N
Compound name
N-methyl-1-(4-methylsulfonylphenyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

213.08235 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.08963 146.8
[M+Na]+ 236.07157 157.5
[M+NH4]+ 231.11617 154.6
[M+K]+ 252.04551 150.6
[M-H]- 212.07507 148.3
[M+Na-2H]- 234.05702 152.3
[M]+ 213.08180 149.1
[M]- 213.08290 149.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe