CID 22481756

Methyl 3-hydroxy-4-((trimethylsilyl)ethynyl)benzoate

Structural Information

Molecular Formula
C13H16O3Si
SMILES
COC(=O)C1=CC(=C(C=C1)C#C[Si](C)(C)C)O
InChI
InChI=1S/C13H16O3Si/c1-16-13(15)11-6-5-10(12(14)9-11)7-8-17(2,3)4/h5-6,9,14H,1-4H3
InChIKey
IGKWQEJDFVUAME-UHFFFAOYSA-N
Compound name
methyl 3-hydroxy-4-(2-trimethylsilylethynyl)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

248.08687 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.09415 152.3
[M+Na]+ 271.07609 163.3
[M+NH4]+ 266.12069 155.5
[M+K]+ 287.05003 155.5
[M-H]- 247.07959 144.5
[M+Na-2H]- 269.06154 154.0
[M]+ 248.08632 150.8
[M]- 248.08742 150.8
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

patents stripe