CID 53428879

208337-82-0

Structural Information

Molecular Formula
C11H14O2S
SMILES
CCOC(=O)C1=CC=C(S1)CCC=C
InChI
InChI=1S/C11H14O2S/c1-3-5-6-9-7-8-10(14-9)11(12)13-4-2/h3,7-8H,1,4-6H2,2H3
InChIKey
MNNOPXRFIKPGGY-UHFFFAOYSA-N
Compound name
ethyl 5-but-3-enylthiophene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.07146 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.078736 147.8
[M+Na]+ 233.060678 155.9
[M-H]- 209.064184 151.7
[M+NH4]+ 228.105283 169.3
[M+K]+ 249.034618 153.1
[M+H-H2O]+ 193.068720 142.4
[M+HCOO]- 255.069661 167.0
[M+CH3COO]- 269.085311 184.8
[M+Na-2H]- 231.046126 147.4
[M]+ 210.07091142 152.6
[M]- 210.07200858 152.6
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

No patent data available for this compound.