CID 3654101

3-(trimethylsilylethynyl)thiophene

Structural Information

Molecular Formula
C9H12SSi
SMILES
C[Si](C)(C)C#CC1=CSC=C1
InChI
InChI=1S/C9H12SSi/c1-11(2,3)7-5-9-4-6-10-8-9/h4,6,8H,1-3H3
InChIKey
XJUQFUWWPCIZRB-UHFFFAOYSA-N
Compound name
trimethyl(2-thiophen-3-ylethynyl)silane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

21
Patents

180.0429 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.05018 146.6
[M+Na]+ 203.03212 157.6
[M-H]- 179.03562 149.8
[M+NH4]+ 198.07672 167.7
[M+K]+ 219.00606 153.8
[M+H-H2O]+ 163.04016 135.7
[M+HCOO]- 225.04110 159.5
[M+CH3COO]- 239.05675 184.8
[M+Na-2H]- 201.01757 147.8
[M]+ 180.04235 143.3
[M]- 180.04345 143.3
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