CID 50989104

Methyl 3-[2-(trimethylsilyl)ethynyl]pyridine-2-carboxylate

Structural Information

Molecular Formula
C12H15NO2Si
SMILES
COC(=O)C1=C(C=CC=N1)C#C[Si](C)(C)C
InChI
InChI=1S/C12H15NO2Si/c1-15-12(14)11-10(6-5-8-13-11)7-9-16(2,3)4/h5-6,8H,1-4H3
InChIKey
IZJVWNMPTBSJLO-UHFFFAOYSA-N
Compound name
methyl 3-(2-trimethylsilylethynyl)pyridine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

233.0872 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.09448 153.3
[M+Na]+ 256.07642 162.8
[M-H]- 232.07992 153.9
[M+NH4]+ 251.12102 168.7
[M+K]+ 272.05036 159.6
[M+H-H2O]+ 216.08446 140.6
[M+HCOO]- 278.08540 167.8
[M+CH3COO]- 292.10105 195.4
[M+Na-2H]- 254.06187 156.8
[M]+ 233.08665 149.9
[M]- 233.08775 149.9
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