CID 22118046

88276-83-9

Structural Information

Molecular Formula

C₉H₂₀O₄Si

SMILES

CCO[Si](CCC=O)(OCC)OCC

InChI

InChI=1S/C9H20O4Si/c1-4-11-14(12-5-2,13-6-3)9-7-8-10/h8H,4-7,9H2,1-3H3

InChIKey

MCALUCJIUQMFGC-UHFFFAOYSA-N

Compound name

3-triethoxysilylpropanal

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 72
Patents: 220.11308 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]+	221.120356	149.4
[M+Na]+	243.102298	155.5
[M-H]-	219.105804	149.1
[M+NH4]+	238.146903	168.6
[M+K]+	259.076238	156.0
[M+H-H2O]+	203.110340	144.2
[M+HCOO]-	265.111281	171.4
[M+CH3COO]-	279.126931	186.8
[M+Na-2H]-	241.087746	155.0
[M]+	220.11253142	156.9
[M]-	220.11362858	156.9

Literature stripe

literature stripe

Patent stripe

patents stripe