CID 169682

4-(2-aminoethyl)benzenesulfonamide

Structural Information

Molecular Formula
C8H12N2O2S
SMILES
C1=CC(=CC=C1CCN)S(=O)(=O)N
InChI
InChI=1S/C8H12N2O2S/c9-6-5-7-1-3-8(4-2-7)13(10,11)12/h1-4H,5-6,9H2,(H2,10,11,12)
InChIKey
FXNSVEQMUYPYJS-UHFFFAOYSA-N
Compound name
4-(2-aminoethyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

108
References

2255
Patents

200.06195 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.069226 140.4
[M+Na]+ 223.051168 148.3
[M-H]- 199.054674 143.4
[M+NH4]+ 218.095773 159.1
[M+K]+ 239.025108 144.6
[M+H-H2O]+ 183.059210 134.4
[M+HCOO]- 245.060151 159.8
[M+CH3COO]- 259.075801 184.6
[M+Na-2H]- 221.036616 144.5
[M]+ 200.06140142 139.8
[M]- 200.06249858 139.8
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