CID 568601

Ethyl 3-(trimethylsilyl)propiolate

Structural Information

Molecular Formula

C₈H₁₄O₂Si

SMILES

CCOC(=O)C#C[Si](C)(C)C

InChI

InChI=1S/C8H14O2Si/c1-5-10-8(9)6-7-11(2,3)4/h5H2,1-4H3

InChIKey

QRBKPHYAIRLCLK-UHFFFAOYSA-N

Compound name

ethyl 3-trimethylsilylprop-2-ynoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 81
Patents: 170.07631 Da
Monoisotopic Mass: None
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	171.08359	134.6
[M+Na]+	193.06553	144.2
[M+NH4]+	188.11013	138.2
[M+K]+	209.03947	136.8
[M-H]-	169.06903	125.3
[M+Na-2H]-	191.05098	135.0
[M]+	170.07576	132.4
[M]-	170.07686	132.4

Literature stripe

literature stripe

Patent stripe

patents stripe