CID 3689755

4-(1-aminoethyl)benzene-1-sulfonamide

Structural Information

Molecular Formula
C8H12N2O2S
SMILES
CC(C1=CC=C(C=C1)S(=O)(=O)N)N
InChI
InChI=1S/C8H12N2O2S/c1-6(9)7-2-4-8(5-3-7)13(10,11)12/h2-6H,9H2,1H3,(H2,10,11,12)
InChIKey
YIGSCEUQIQKFPL-UHFFFAOYSA-N
Compound name
4-(1-aminoethyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

167
Patents

200.06195 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.069226 140.8
[M+Na]+ 223.051168 148.2
[M-H]- 199.054674 143.8
[M+NH4]+ 218.095773 159.3
[M+K]+ 239.025108 145.1
[M+H-H2O]+ 183.059210 134.8
[M+HCOO]- 245.060151 159.0
[M+CH3COO]- 259.075801 185.5
[M+Na-2H]- 221.036616 143.7
[M]+ 200.06140142 139.5
[M]- 200.06249858 139.5
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