CID 12644163

Nonane, 1,1,3-triethoxy-

Structural Information

Molecular Formula

C₁₅H₃₂O₃

SMILES

CCCCCCC(CC(OCC)OCC)OCC

InChI

InChI=1S/C15H32O3/c1-5-9-10-11-12-14(16-6-2)13-15(17-7-3)18-8-4/h14-15H,5-13H2,1-4H3

InChIKey

JWXUYKOCPKYCHJ-UHFFFAOYSA-N

Compound name

1,1,3-triethoxynonane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 260.23514 Da
Monoisotopic Mass: 4.3
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]+	261.242416	170.5
[M+Na]+	283.224358	173.5
[M-H]-	259.227864	169.2
[M+NH4]+	278.268963	187.4
[M+K]+	299.198298	173.3
[M+H-H2O]+	243.232400	164.1
[M+HCOO]-	305.233341	190.1
[M+CH3COO]-	319.248991	201.8
[M+Na-2H]-	281.209806	170.2
[M]+	260.23459142	178.3
[M]-	260.23568858	178.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe