CID 2190154

1171767-56-8

Structural Information

Molecular Formula
C9H14N2O3S
SMILES
COC1=CC=C(C=C1)S(=O)(=O)NCCN
InChI
InChI=1S/C9H14N2O3S/c1-14-8-2-4-9(5-3-8)15(12,13)11-7-6-10/h2-5,11H,6-7,10H2,1H3
InChIKey
DXJTYJVSEICHGS-UHFFFAOYSA-N
Compound name
N-(2-aminoethyl)-4-methoxybenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

230.07251 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.079786 147.6
[M+Na]+ 253.061728 154.7
[M-H]- 229.065234 150.8
[M+NH4]+ 248.106333 165.2
[M+K]+ 269.035668 151.7
[M+H-H2O]+ 213.069770 141.0
[M+HCOO]- 275.070711 167.5
[M+CH3COO]- 289.086361 190.4
[M+Na-2H]- 251.047176 152.4
[M]+ 230.07196142 149.7
[M]- 230.07305858 149.7
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