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]+ 234.043076 146.5
[M+Na]+ 256.025018 155.3
[M-H]- 232.028524 151.9
[M+NH4]+ 251.069623 165.2
[M+K]+ 271.998958 155.8
[M+H-H2O]+ 216.033060 141.7
[M+HCOO]- 278.034001 165.0
[M+CH3COO]- 292.049651 189.4
[M+Na-2H]- 254.010466 148.9
[M]+ 233.03525142 152.8
[M]- 233.03634858 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.