CID 22481756

478169-68-5

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 158.1
[M+Na]+ 271.07609 167.9
[M-H]- 247.07959 159.4
[M+NH4]+ 266.12069 173.9
[M+K]+ 287.05003 164.3
[M+H-H2O]+ 231.08413 146.9
[M+HCOO]- 293.08507 172.5
[M+CH3COO]- 307.10072 196.3
[M+Na-2H]- 269.06154 160.1
[M]+ 248.08632 154.7
[M]- 248.08742 154.7
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