CID 39733398

4-(dimethylsulfamoyl)-5-methylfuran-2-carboxylic acid

Structural Information

Molecular Formula
C8H11NO5S
SMILES
CC1=C(C=C(O1)C(=O)O)S(=O)(=O)N(C)C
InChI
InChI=1S/C8H11NO5S/c1-5-7(15(12,13)9(2)3)4-6(14-5)8(10)11/h4H,1-3H3,(H,10,11)
InChIKey
YDYSZRWIHKNHPB-UHFFFAOYSA-N
Compound name
4-(dimethylsulfamoyl)-5-methylfuran-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.0358 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.04308 146.5
[M+Na]+ 256.02502 155.3
[M-H]- 232.02852 151.9
[M+NH4]+ 251.06962 165.2
[M+K]+ 271.99896 155.8
[M+H-H2O]+ 216.03306 141.7
[M+HCOO]- 278.03400 165.0
[M+CH3COO]- 292.04965 189.4
[M+Na-2H]- 254.01047 148.9
[M]+ 233.03525 152.8
[M]- 233.03635 152.8
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

No patent data available for this compound.