CID 566107

3-(4-methylpent-3-enyl)thiophene

Structural Information

Molecular Formula
C10H14S
SMILES
CC(=CCCC1=CSC=C1)C
InChI
InChI=1S/C10H14S/c1-9(2)4-3-5-10-6-7-11-8-10/h4,6-8H,3,5H2,1-2H3
InChIKey
UAGFAMQTBLSQSU-UHFFFAOYSA-N
Compound name
3-(4-methylpent-3-enyl)thiophene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

10
Patents

166.08162 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.08890 137.8
[M+Na]+ 189.07084 145.4
[M-H]- 165.07434 141.7
[M+NH4]+ 184.11544 161.0
[M+K]+ 205.04478 142.7
[M+H-H2O]+ 149.07888 132.6
[M+HCOO]- 211.07982 156.7
[M+CH3COO]- 225.09547 177.8
[M+Na-2H]- 187.05629 138.4
[M]+ 166.08107 139.8
[M]- 166.08217 139.8
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.