CID 4463281

2-[(trimethylsilyl)ethynyl]toluene

Structural Information

Molecular Formula
C12H16Si
SMILES
CC1=CC=CC=C1C#C[Si](C)(C)C
InChI
InChI=1S/C12H16Si/c1-11-7-5-6-8-12(11)9-10-13(2,3)4/h5-8H,1-4H3
InChIKey
POJCCZAVVWWXNS-UHFFFAOYSA-N
Compound name
trimethyl-[2-(2-methylphenyl)ethynyl]silane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

188.10213 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.10941 144.6
[M+Na]+ 211.09135 154.7
[M-H]- 187.09485 146.9
[M+NH4]+ 206.13595 163.3
[M+K]+ 227.06529 150.2
[M+H-H2O]+ 171.09939 133.5
[M+HCOO]- 233.10033 160.8
[M+CH3COO]- 247.11598 190.3
[M+Na-2H]- 209.07680 149.3
[M]+ 188.10158 139.7
[M]- 188.10268 139.7
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