CID 2386006

2-[5-(pyrrolidine-1-sulfonyl)thiophen-2-yl]acetic acid

Structural Information

Molecular Formula
C10H13NO4S2
SMILES
C1CCN(C1)S(=O)(=O)C2=CC=C(S2)CC(=O)O
InChI
InChI=1S/C10H13NO4S2/c12-9(13)7-8-3-4-10(16-8)17(14,15)11-5-1-2-6-11/h3-4H,1-2,5-7H2,(H,12,13)
InChIKey
UJACCRCVRARFCH-UHFFFAOYSA-N
Compound name
2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

0
Patents

275.0286 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.03588 161.5
[M+Na]+ 298.01782 168.0
[M+NH4]+ 293.06242 167.7
[M+K]+ 313.99176 164.6
[M-H]- 274.02132 160.9
[M+Na-2H]- 296.00327 163.0
[M]+ 275.02805 162.7
[M]- 275.02915 162.7
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

No patent data available for this compound.