CID 87777

Trimethylsilyl stearate

Structural Information

Molecular Formula

C₂₁H₄₄O₂Si

SMILES

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

InChI

InChI=1S/C21H44O2Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-24(2,3)4/h5-20H2,1-4H3

InChIKey

DDLPZVTUKLKVQB-UHFFFAOYSA-N

Compound name

trimethylsilyl octadecanoate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 44
Patents: 356.31107 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]+	357.31835	195.5
[M+Na]+	379.30029	202.2
[M+NH4]+	374.34489	200.4
[M+K]+	395.27423	194.4
[M-H]-	355.30379	193.3
[M+Na-2H]-	377.28574	194.9
[M]+	356.31052	195.6
[M]-	356.31162	195.6

Literature stripe

literature stripe

Patent stripe

patents stripe