CID 9361763

3-(morpholin-4-ylsulfonyl)thiophene-2-carboxylic acid

Structural Information

Molecular Formula
C9H11NO5S2
SMILES
C1COCCN1S(=O)(=O)C2=C(SC=C2)C(=O)O
InChI
InChI=1S/C9H11NO5S2/c11-9(12)8-7(1-6-16-8)17(13,14)10-2-4-15-5-3-10/h1,6H,2-5H2,(H,11,12)
InChIKey
VMQOYLZOIIFQBE-UHFFFAOYSA-N
Compound name
3-morpholin-4-ylsulfonylthiophene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

277.00787 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.01515 157.8
[M+Na]+ 299.99709 164.7
[M-H]- 276.00059 162.1
[M+NH4]+ 295.04169 172.5
[M+K]+ 315.97103 162.5
[M+H-H2O]+ 260.00513 152.6
[M+HCOO]- 322.00607 165.6
[M+CH3COO]- 336.02172 187.2
[M+Na-2H]- 297.98254 158.4
[M]+ 277.00732 158.6
[M]- 277.00842 158.6
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.