CID 58401193

Dimethyl thiophene-3,4-dicarboxylate

Structural Information

Molecular Formula
C8H8O4S
SMILES
COC(=O)C1=CSC=C1C(=O)OC
InChI
InChI=1S/C8H8O4S/c1-11-7(9)5-3-13-4-6(5)8(10)12-2/h3-4H,1-2H3
InChIKey
MEPFISOQOOJNJL-UHFFFAOYSA-N
Compound name
dimethyl thiophene-3,4-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

200.01433 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.02161 141.1
[M+Na]+ 223.00355 149.8
[M-H]- 199.00705 145.6
[M+NH4]+ 218.04815 162.7
[M+K]+ 238.97749 149.3
[M+H-H2O]+ 183.01159 136.0
[M+HCOO]- 245.01253 160.7
[M+CH3COO]- 259.02818 180.0
[M+Na-2H]- 220.98900 141.4
[M]+ 200.01378 147.0
[M]- 200.01488 147.0
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