CID 57624376

214268-06-1

Structural Information

Molecular Formula

C₁₀H₁₆O₂Si

SMILES

CC(=C)C(=O)OCC#C[Si](C)(C)C

InChI

InChI=1S/C10H16O2Si/c1-9(2)10(11)12-7-6-8-13(3,4)5/h1,7H2,2-5H3

InChIKey

ZFHCOMDLFYIXAG-UHFFFAOYSA-N

Compound name

3-trimethylsilylprop-2-ynyl 2-methylprop-2-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 97
Patents: 196.09195 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]+	197.09923	145.0
[M+Na]+	219.08117	153.5
[M-H]-	195.08467	144.7
[M+NH4]+	214.12577	163.2
[M+K]+	235.05511	151.9
[M+H-H2O]+	179.08921	134.7
[M+HCOO]-	241.09015	159.5
[M+CH3COO]-	255.10580	190.8
[M+Na-2H]-	217.06662	147.2
[M]+	196.09140	141.7
[M]-	196.09250	141.7

Literature stripe

literature stripe

Patent stripe

patents stripe