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]+ 169.03178 134.1
[M+Na]+ 191.01372 143.5
[M-H]- 167.01722 138.6
[M+NH4]+ 186.05832 157.3
[M+K]+ 206.98766 141.5
[M+H-H2O]+ 151.02176 129.3
[M+HCOO]- 213.02270 154.3
[M+CH3COO]- 227.03835 175.8
[M+Na-2H]- 188.99917 135.2
[M]+ 168.02395 137.9
[M]- 168.02505 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