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

14
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

literature stripe

Patent stripe

patents stripe