CID 301318

N-(2-aminoethyl)-4-methylbenzenesulfonamide

Structural Information

Molecular Formula
C9H14N2O2S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NCCN
InChI
InChI=1S/C9H14N2O2S/c1-8-2-4-9(5-3-8)14(12,13)11-7-6-10/h2-5,11H,6-7,10H2,1H3
InChIKey
JATMCAQQSXISOR-UHFFFAOYSA-N
Compound name
N-(2-aminoethyl)-4-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

253
Patents

214.0776 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.08488 144.5
[M+Na]+ 237.06682 151.9
[M-H]- 213.07032 147.9
[M+NH4]+ 232.11142 162.9
[M+K]+ 253.04076 148.4
[M+H-H2O]+ 197.07486 138.3
[M+HCOO]- 259.07580 164.2
[M+CH3COO]- 273.09145 188.2
[M+Na-2H]- 235.05227 149.2
[M]+ 214.07705 145.2
[M]- 214.07815 145.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe