CID 22332701

5-(morpholine-4-sulfonyl)furan-2-carboxylic acid

Structural Information

Molecular Formula
C9H11NO6S
SMILES
C1COCCN1S(=O)(=O)C2=CC=C(O2)C(=O)O
InChI
InChI=1S/C9H11NO6S/c11-9(12)7-1-2-8(16-7)17(13,14)10-3-5-15-6-4-10/h1-2H,3-6H2,(H,11,12)
InChIKey
KUFFIEBVYHIWTO-UHFFFAOYSA-N
Compound name
5-morpholin-4-ylsulfonylfuran-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

0
Patents

261.0307 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.037976 152.0
[M+Na]+ 284.019918 158.8
[M-H]- 260.023424 157.4
[M+NH4]+ 279.064523 165.7
[M+K]+ 299.993858 159.4
[M+H-H2O]+ 244.027960 146.5
[M+HCOO]- 306.028901 164.4
[M+CH3COO]- 320.044551 185.1
[M+Na-2H]- 282.005366 155.2
[M]+ 261.03015142 153.8
[M]- 261.03124858 153.8
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.