CID 58354548

1-[(tert-butyldimethylsilyl)oxy]hexan-3-one

Structural Information

Molecular Formula

C₁₂H₂₆O₂Si

SMILES

CCCC(=O)CCO[Si](C)(C)C(C)(C)C

InChI

InChI=1S/C12H26O2Si/c1-7-8-11(13)9-10-14-15(5,6)12(2,3)4/h7-10H2,1-6H3

InChIKey

XBQPANOEZAITIW-UHFFFAOYSA-N

Compound name

1-[tert-butyl(dimethyl)silyl]oxyhexan-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 230.17021 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]+	231.17749	156.2
[M+Na]+	253.15943	161.6
[M-H]-	229.16293	156.0
[M+NH4]+	248.20403	175.4
[M+K]+	269.13337	161.3
[M+H-H2O]+	213.16747	151.9
[M+HCOO]-	275.16841	174.3
[M+CH3COO]-	289.18406	192.5
[M+Na-2H]-	251.14488	159.9
[M]+	230.16966	160.8
[M]-	230.17076	160.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe