CID 11299311

Methyl 5-methyl-4-sulfamoylthiophene-3-carboxylate

Structural Information

Molecular Formula
C7H9NO4S2
SMILES
CC1=C(C(=CS1)C(=O)OC)S(=O)(=O)N
InChI
InChI=1S/C7H9NO4S2/c1-4-6(14(8,10)11)5(3-13-4)7(9)12-2/h3H,1-2H3,(H2,8,10,11)
InChIKey
HZYUFKOKLHCVKN-UHFFFAOYSA-N
Compound name
methyl 5-methyl-4-sulfamoylthiophene-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

49
Patents

234.9973 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.00458 148.8
[M+Na]+ 257.98652 158.1
[M-H]- 233.99002 152.4
[M+NH4]+ 253.03112 168.4
[M+K]+ 273.96046 154.8
[M+H-H2O]+ 217.99456 143.7
[M+HCOO]- 279.99550 162.5
[M+CH3COO]- 294.01115 186.7
[M+Na-2H]- 255.97197 148.6
[M]+ 234.99675 152.9
[M]- 234.99785 152.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe