CID 4962826

3-(1-aminoethyl)benzene-1-sulfonamide

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

200.06195 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.06923 140.8
[M+Na]+ 223.05117 148.2
[M-H]- 199.05467 143.8
[M+NH4]+ 218.09577 159.3
[M+K]+ 239.02511 145.1
[M+H-H2O]+ 183.05921 134.8
[M+HCOO]- 245.06015 159.0
[M+CH3COO]- 259.07580 185.5
[M+Na-2H]- 221.03662 143.7
[M]+ 200.06140 139.5
[M]- 200.06250 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

No literature data available for this compound.

Patent stripe

patents stripe