CID 3538356

Octyl trimethylsilyl ketone

Structural Information

Molecular Formula

C₁₂H₂₆OSi

SMILES

CCCCCCCCC(=O)[Si](C)(C)C

InChI

InChI=1S/C12H26OSi/c1-5-6-7-8-9-10-11-12(13)14(2,3)4/h5-11H2,1-4H3

InChIKey

MFKWORABNUEDTO-UHFFFAOYSA-N

Compound name

1-trimethylsilylnonan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 214.1753 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]+	215.18258	154.3
[M+Na]+	237.16452	159.2
[M-H]-	213.16802	153.7
[M+NH4]+	232.20912	173.9
[M+K]+	253.13846	157.9
[M+H-H2O]+	197.17256	149.4
[M+HCOO]-	259.17350	173.7
[M+CH3COO]-	273.18915	190.8
[M+Na-2H]-	235.14997	157.0
[M]+	214.17475	157.9
[M]-	214.17585	157.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.