CID 57776856

Methyl 3-ethenylthiophene-2-carboxylate

Structural Information

Molecular Formula
C8H8O2S
SMILES
COC(=O)C1=C(C=CS1)C=C
InChI
InChI=1S/C8H8O2S/c1-3-6-4-5-11-7(6)8(9)10-2/h3-5H,1H2,2H3
InChIKey
DGUBZMCKZNDKMG-UHFFFAOYSA-N
Compound name
methyl 3-ethenylthiophene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

168.0245 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.031776 134.1
[M+Na]+ 191.013718 143.5
[M-H]- 167.017224 138.6
[M+NH4]+ 186.058323 157.3
[M+K]+ 206.987658 141.5
[M+H-H2O]+ 151.021760 129.3
[M+HCOO]- 213.022701 154.3
[M+CH3COO]- 227.038351 175.8
[M+Na-2H]- 188.999166 135.2
[M]+ 168.02395142 137.9
[M]- 168.02504858 137.9
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