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

8
Patents

205.00449 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.011766 138.5
[M+Na]+ 227.993708 147.9
[M-H]- 203.997214 142.1
[M+NH4]+ 223.038313 157.3
[M+K]+ 243.967648 147.1
[M+H-H2O]+ 188.001750 134.0
[M+HCOO]- 250.002691 156.4
[M+CH3COO]- 264.018341 179.5
[M+Na-2H]- 225.979156 141.3
[M]+ 205.00394142 141.7
[M]- 205.00503858 141.7
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