CID 3662392

3-[(tert-butyldimethylsilyl)oxy]propanal

Structural Information

Molecular Formula

C₉H₂₀O₂Si

SMILES

CC(C)(C)[Si](C)(C)OCCC=O

InChI

InChI=1S/C9H20O2Si/c1-9(2,3)12(4,5)11-8-6-7-10/h7H,6,8H2,1-5H3

InChIKey

WGWCJTNWUFFGFH-UHFFFAOYSA-N

Compound name

3-[tert-butyl(dimethyl)silyl]oxypropanal

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 924
Patents: 188.12326 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]+	189.13054	142.9
[M+Na]+	211.11248	149.8
[M-H]-	187.11598	143.1
[M+NH4]+	206.15708	163.8
[M+K]+	227.08642	149.7
[M+H-H2O]+	171.12052	139.0
[M+HCOO]-	233.12146	162.9
[M+CH3COO]-	247.13711	182.6
[M+Na-2H]-	209.09793	149.3
[M]+	188.12271	147.0
[M]-	188.12381	147.0

Literature stripe

literature stripe

Patent stripe

patents stripe