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]+ 262.03798 152.0
[M+Na]+ 284.01992 158.8
[M-H]- 260.02342 157.4
[M+NH4]+ 279.06452 165.7
[M+K]+ 299.99386 159.4
[M+H-H2O]+ 244.02796 146.5
[M+HCOO]- 306.02890 164.4
[M+CH3COO]- 320.04455 185.1
[M+Na-2H]- 282.00537 155.2
[M]+ 261.03015 153.8
[M]- 261.03125 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.