CID 71353463

17576-21-5

Structural Information

Molecular Formula

C₁₅H₃₀O₅

SMILES

CCCCCCCCC(=O)OCCOCCOCCO

InChI

InChI=1S/C15H30O5/c1-2-3-4-5-6-7-8-15(17)20-14-13-19-12-11-18-10-9-16/h16H,2-14H2,1H3

InChIKey

YAPDBJRPYRJSFF-UHFFFAOYSA-N

Compound name

2-[2-(2-hydroxyethoxy)ethoxy]ethyl nonanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 23
Patents: 290.20932 Da
Monoisotopic Mass: 2.7
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]+	291.216596	173.7
[M+Na]+	313.198538	176.6
[M-H]-	289.202044	170.8
[M+NH4]+	308.243143	188.5
[M+K]+	329.172478	175.4
[M+H-H2O]+	273.206580	166.9
[M+HCOO]-	335.207521	193.4
[M+CH3COO]-	349.223171	200.7
[M+Na-2H]-	311.183986	174.3
[M]+	290.20877142	182.3
[M]-	290.20986858	182.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe