CID 24624

1,1,3-triethoxypropane

Structural Information

Molecular Formula

C₉H₂₀O₃

SMILES

CCOCCC(OCC)OCC

InChI

InChI=1S/C9H20O3/c1-4-10-8-7-9(11-5-2)12-6-3/h9H,4-8H2,1-3H3

InChIKey

LGICWIVABSMSDK-UHFFFAOYSA-N

Compound name

1,1,3-triethoxypropane

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 4
References: 85
Patents: 176.14125 Da
Monoisotopic Mass: 1.4
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]+	177.14853	140.5
[M+Na]+	199.13047	149.7
[M+NH4]+	194.17507	147.6
[M+K]+	215.10441	144.5
[M-H]-	175.13397	139.3
[M+Na-2H]-	197.11592	143.2
[M]+	176.14070	141.2
[M]-	176.14180	141.2

Literature stripe

literature stripe

Patent stripe

patents stripe