CID 2736905

2-methyl-5-[(morpholin-4-yl)sulphonyl]-3-furoic acid

Structural Information

Molecular Formula
C10H13NO6S
SMILES
CC1=C(C=C(O1)S(=O)(=O)N2CCOCC2)C(=O)O
InChI
InChI=1S/C10H13NO6S/c1-7-8(10(12)13)6-9(17-7)18(14,15)11-2-4-16-5-3-11/h6H,2-5H2,1H3,(H,12,13)
InChIKey
COSCPEVCSMIUDC-UHFFFAOYSA-N
Compound name
2-methyl-5-morpholin-4-ylsulfonylfuran-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

275.04636 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.05364 156.3
[M+Na]+ 298.03558 163.5
[M-H]- 274.03908 161.9
[M+NH4]+ 293.08018 169.8
[M+K]+ 314.00952 163.9
[M+H-H2O]+ 258.04362 150.9
[M+HCOO]- 320.04456 168.4
[M+CH3COO]- 334.06021 189.3
[M+Na-2H]- 296.02103 158.4
[M]+ 275.04581 158.8
[M]- 275.04691 158.8
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

patents stripe