CID 2424057

3-(4-ethoxybenzenesulfonamido)propanoic acid

Structural Information

Molecular Formula
C11H15NO5S
SMILES
CCOC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)O
InChI
InChI=1S/C11H15NO5S/c1-2-17-9-3-5-10(6-4-9)18(15,16)12-8-7-11(13)14/h3-6,12H,2,7-8H2,1H3,(H,13,14)
InChIKey
KWJIEQMATLWFQD-UHFFFAOYSA-N
Compound name
3-[(4-ethoxyphenyl)sulfonylamino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.0671 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.07438 158.0
[M+Na]+ 296.05632 164.3
[M-H]- 272.05982 160.1
[M+NH4]+ 291.10092 173.4
[M+K]+ 312.03026 161.5
[M+H-H2O]+ 256.06436 151.5
[M+HCOO]- 318.06530 175.0
[M+CH3COO]- 332.08095 193.8
[M+Na-2H]- 294.04177 161.3
[M]+ 273.06655 162.3
[M]- 273.06765 162.3
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

No patent data available for this compound.