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: 86
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	142.1
[M+Na]+	199.13047	147.8
[M-H]-	175.13397	141.9
[M+NH4]+	194.17507	162.5
[M+K]+	215.10441	148.7
[M+H-H2O]+	159.13851	136.8
[M+HCOO]-	221.13945	164.7
[M+CH3COO]-	235.15510	183.0
[M+Na-2H]-	197.11592	146.3
[M]+	176.14070	148.3
[M]-	176.14180	148.3

Literature stripe

literature stripe

Patent stripe

patents stripe