CID 16792452

N-[2-(1-aminoethyl)phenyl]methanesulfonamide hydrochloride

Structural Information

Molecular Formula
C9H14N2O2S
SMILES
CC(C1=CC=CC=C1NS(=O)(=O)C)N
InChI
InChI=1S/C9H14N2O2S/c1-7(10)8-5-3-4-6-9(8)11-14(2,12)13/h3-7,11H,10H2,1-2H3
InChIKey
SJZIIPAYWDGZCB-UHFFFAOYSA-N
Compound name
N-[2-(1-aminoethyl)phenyl]methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.0776 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.08488 144.8
[M+Na]+ 237.06682 151.9
[M-H]- 213.07032 148.2
[M+NH4]+ 232.11142 163.1
[M+K]+ 253.04076 148.9
[M+H-H2O]+ 197.07486 138.6
[M+HCOO]- 259.07580 163.4
[M+CH3COO]- 273.09145 189.1
[M+Na-2H]- 235.05227 148.4
[M]+ 214.07705 144.9
[M]- 214.07815 144.9
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

No patent data available for this compound.