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]+ 290.051526 164.2
[M+Na]+ 312.033468 170.2
[M-H]- 288.036974 167.5
[M+NH4]+ 307.078073 179.7
[M+K]+ 328.007408 166.2
[M+H-H2O]+ 272.041510 158.5
[M+HCOO]- 334.042451 171.7
[M+CH3COO]- 348.058101 190.7
[M+Na-2H]- 310.018916 162.9
[M]+ 289.04370142 163.9
[M]- 289.04479858 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.