CID 4638544

1,9-diethoxynonane

Structural Information

Molecular Formula

C₁₃H₂₈O₂

SMILES

CCOCCCCCCCCCOCC

InChI

InChI=1S/C13H28O2/c1-3-14-12-10-8-6-5-7-9-11-13-15-4-2/h3-13H2,1-2H3

InChIKey

UGTSXCRMHFOFNS-UHFFFAOYSA-N

Compound name

1,9-diethoxynonane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 216.20892 Da
Monoisotopic Mass: 3.7
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]+	217.21620	155.0
[M+Na]+	239.19814	164.2
[M+NH4]+	234.24274	162.1
[M+K]+	255.17208	156.6
[M-H]-	215.20164	154.4
[M+Na-2H]-	237.18359	157.4
[M]+	216.20837	155.9
[M]-	216.20947	155.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe