CID 4428347

72047-94-0

Structural Information

Molecular Formula

C₉H₁₈O₂Si

SMILES

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

InChI

InChI=1S/C9H18O2Si/c1-8(6-11-9(2)10)7-12(3,4)5/h1,6-7H2,2-5H3

InChIKey

IKQWABMHZKGCLX-UHFFFAOYSA-N

Compound name

2-(trimethylsilylmethyl)prop-2-enyl acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 341
Patents: 186.1076 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]+	187.11488	141.4
[M+Na]+	209.09682	147.7
[M-H]-	185.10032	141.6
[M+NH4]+	204.14142	162.1
[M+K]+	225.07076	147.5
[M+H-H2O]+	169.10486	137.2
[M+HCOO]-	231.10580	161.3
[M+CH3COO]-	245.12145	182.8
[M+Na-2H]-	207.08227	144.7
[M]+	186.10705	144.0
[M]-	186.10815	144.0

Literature stripe

literature stripe

Patent stripe

patents stripe