CID 79340

Methyl thiophene-2-carboxylate

Structural Information

Molecular Formula
C6H6O2S
SMILES
COC(=O)C1=CC=CS1
InChI
InChI=1S/C6H6O2S/c1-8-6(7)5-3-2-4-9-5/h2-4H,1H3
InChIKey
PGBFYLVIMDQYMS-UHFFFAOYSA-N
Compound name
methyl thiophene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2425
Patents

142.00885 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.01613 127.8
[M+Na]+ 164.99807 138.5
[M+NH4]+ 160.04267 137.0
[M+K]+ 180.97201 132.9
[M-H]- 141.00157 129.1
[M+Na-2H]- 162.98352 132.9
[M]+ 142.00830 130.0
[M]- 142.00940 130.0
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