CID 66995

Triethyl orthopropionate

Structural Information

Molecular Formula

C₉H₂₀O₃

SMILES

CCC(OCC)(OCC)OCC

InChI

InChI=1S/C9H20O3/c1-5-9(10-6-2,11-7-3)12-8-4/h5-8H2,1-4H3

InChIKey

FGWYWKIOMUZSQF-UHFFFAOYSA-N

Compound name

1,1,1-triethoxypropane

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 3720
Patents: 176.14125 Da
Monoisotopic Mass: 2.0
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]+	177.148526	141.6
[M+Na]+	199.130468	148.1
[M-H]-	175.133974	141.7
[M+NH4]+	194.175073	162.2
[M+K]+	215.104408	148.9
[M+H-H2O]+	159.138510	137.0
[M+HCOO]-	221.139451	163.7
[M+CH3COO]-	235.155101	182.6
[M+Na-2H]-	197.115916	147.9
[M]+	176.14070142	148.1
[M]-	176.14179858	148.1

Literature stripe

literature stripe

Patent stripe

patents stripe