CID 21922138

14857-35-3

Structural Information

Molecular Formula

C₁₃H₂₆O₃Si

SMILES

CCO[Si](C)(CCC1CCC2C(C1)O2)OCC

InChI

InChI=1S/C13H26O3Si/c1-4-14-17(3,15-5-2)9-8-11-6-7-12-13(10-11)16-12/h11-13H,4-10H2,1-3H3

InChIKey

ASGKDLGXPOIMTM-UHFFFAOYSA-N

Compound name

diethoxy-methyl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2241
Patents: 258.16513 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]+	259.17241	161.7
[M+Na]+	281.15435	168.2
[M-H]-	257.15785	166.5
[M+NH4]+	276.19895	174.5
[M+K]+	297.12829	167.3
[M+H-H2O]+	241.16239	155.2
[M+HCOO]-	303.16333	178.2
[M+CH3COO]-	317.17898	197.9
[M+Na-2H]-	279.13980	167.2
[M]+	258.16458	167.8
[M]-	258.16568	167.8

Literature stripe

literature stripe

Patent stripe

patents stripe