CID 12841745

N-(2-aminoethyl)benzenesulfonamide

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

191
Patents

200.06195 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.069226 140.2
[M+Na]+ 223.051168 147.1
[M-H]- 199.054674 143.3
[M+NH4]+ 218.095773 158.8
[M+K]+ 239.025108 143.8
[M+H-H2O]+ 183.059210 133.8
[M+HCOO]- 245.060151 160.2
[M+CH3COO]- 259.075801 184.0
[M+Na-2H]- 221.036616 146.0
[M]+ 200.06140142 140.1
[M]- 200.06249858 140.1
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