CID 3837253

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

Structural Information

Molecular Formula
C11H15NO4S2
SMILES
C1CCN(CC1)S(=O)(=O)C2=CC=C(S2)CC(=O)O
InChI
InChI=1S/C11H15NO4S2/c13-10(14)8-9-4-5-11(17-9)18(15,16)12-6-2-1-3-7-12/h4-5H,1-3,6-8H2,(H,13,14)
InChIKey
GHZRQYVOINPTBL-UHFFFAOYSA-N
Compound name
2-(5-piperidin-1-ylsulfonylthiophen-2-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.04425 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.05153 164.2
[M+Na]+ 312.03347 170.2
[M-H]- 288.03697 167.5
[M+NH4]+ 307.07807 179.7
[M+K]+ 328.00741 166.2
[M+H-H2O]+ 272.04151 158.5
[M+HCOO]- 334.04245 171.7
[M+CH3COO]- 348.05810 190.7
[M+Na-2H]- 310.01892 162.9
[M]+ 289.04370 163.9
[M]- 289.04480 163.9
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.