CID 81925

Ethanol, 2-[(3-amino-4-methoxyphenyl)sulfonyl]-

Structural Information

Molecular Formula
C9H13NO4S
SMILES
COC1=C(C=C(C=C1)S(=O)(=O)CCO)N
InChI
InChI=1S/C9H13NO4S/c1-14-9-3-2-7(6-8(9)10)15(12,13)5-4-11/h2-3,6,11H,4-5,10H2,1H3
InChIKey
DERMVGUSAPXPSM-UHFFFAOYSA-N
Compound name
2-(3-amino-4-methoxyphenyl)sulfonylethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

55
Patents

231.05653 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.063806 147.2
[M+Na]+ 254.045748 155.5
[M-H]- 230.049254 149.5
[M+NH4]+ 249.090353 164.6
[M+K]+ 270.019688 152.3
[M+H-H2O]+ 214.053790 141.5
[M+HCOO]- 276.054731 164.9
[M+CH3COO]- 290.070381 186.2
[M+Na-2H]- 252.031196 150.7
[M]+ 231.05598142 150.1
[M]- 231.05707858 150.1
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