CID 122164308

3-methyl-5-sulfamoylfuran-2-carboxylic acid

Structural Information

Molecular Formula
C6H7NO5S
SMILES
CC1=C(OC(=C1)S(=O)(=O)N)C(=O)O
InChI
InChI=1S/C6H7NO5S/c1-3-2-4(13(7,10)11)12-5(3)6(8)9/h2H,1H3,(H,8,9)(H2,7,10,11)
InChIKey
MKJAUWJEPWSIGK-UHFFFAOYSA-N
Compound name
3-methyl-5-sulfamoylfuran-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

205.00449 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.01177 141.7
[M+Na]+ 227.99371 149.4
[M+NH4]+ 223.03831 147.0
[M+K]+ 243.96765 148.3
[M-H]- 203.99721 141.1
[M+Na-2H]- 225.97916 142.8
[M]+ 205.00394 142.6
[M]- 205.00504 142.6
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