CID 2380528

2-[5-(morpholine-4-sulfonyl)thiophen-2-yl]acetic acid

Structural Information

Molecular Formula
C10H13NO5S2
SMILES
C1COCCN1S(=O)(=O)C2=CC=C(S2)CC(=O)O
InChI
InChI=1S/C10H13NO5S2/c12-9(13)7-8-1-2-10(17-8)18(14,15)11-3-5-16-6-4-11/h1-2H,3-7H2,(H,12,13)
InChIKey
VTNRTTDFAKWFGC-UHFFFAOYSA-N
Compound name
2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

291.02353 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.03081 162.0
[M+Na]+ 314.01275 168.4
[M-H]- 290.01625 166.1
[M+NH4]+ 309.05735 176.2
[M+K]+ 329.98669 166.0
[M+H-H2O]+ 274.02079 156.6
[M+HCOO]- 336.02173 169.5
[M+CH3COO]- 350.03738 190.1
[M+Na-2H]- 311.99820 162.2
[M]+ 291.02298 163.1
[M]- 291.02408 163.1
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.