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

38
Patents

200.01433 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.021606 141.1
[M+Na]+ 223.003548 149.8
[M-H]- 199.007054 145.6
[M+NH4]+ 218.048153 162.7
[M+K]+ 238.977488 149.3
[M+H-H2O]+ 183.011590 136.0
[M+HCOO]- 245.012531 160.7
[M+CH3COO]- 259.028181 180.0
[M+Na-2H]- 220.988996 141.4
[M]+ 200.01378142 147.0
[M]- 200.01487858 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