CID 2777650

Methyl 3-ethoxythiophene-2-carboxylate

Structural Information

Molecular Formula
C8H10O3S
SMILES
CCOC1=C(SC=C1)C(=O)OC
InChI
InChI=1S/C8H10O3S/c1-3-11-6-4-5-12-7(6)8(9)10-2/h4-5H,3H2,1-2H3
InChIKey
JAGLXKOXARHKBR-UHFFFAOYSA-N
Compound name
methyl 3-ethoxythiophene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

53
Patents

186.03506 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.04234 138.4
[M+Na]+ 209.02428 147.3
[M-H]- 185.02778 142.8
[M+NH4]+ 204.06888 160.8
[M+K]+ 224.99822 146.4
[M+H-H2O]+ 169.03232 133.3
[M+HCOO]- 231.03326 158.6
[M+CH3COO]- 245.04891 178.7
[M+Na-2H]- 207.00973 139.7
[M]+ 186.03451 144.3
[M]- 186.03561 144.3
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