CID 16769561

2-(thiophene-2-sulfonamido)propanoic acid

Structural Information

Molecular Formula
C7H9NO4S2
SMILES
CC(C(=O)O)NS(=O)(=O)C1=CC=CS1
InChI
InChI=1S/C7H9NO4S2/c1-5(7(9)10)8-14(11,12)6-3-2-4-13-6/h2-5,8H,1H3,(H,9,10)
InChIKey
XIODLOBECJQIKS-UHFFFAOYSA-N
Compound name
2-(thiophen-2-ylsulfonylamino)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.9973 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.00458 150.0
[M+Na]+ 257.98652 156.8
[M-H]- 233.99002 152.0
[M+NH4]+ 253.03112 168.4
[M+K]+ 273.96046 153.6
[M+H-H2O]+ 217.99456 144.6
[M+HCOO]- 279.99550 161.8
[M+CH3COO]- 294.01115 184.0
[M+Na-2H]- 255.97197 150.6
[M]+ 234.99675 152.0
[M]- 234.99785 152.0
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