CID 3017424

63468-14-4

Structural Information

Molecular Formula

C₁₄H₂₈O₅

SMILES

CCCCC(CC)C(=O)OCCOCCOCCO

InChI

InChI=1S/C14H28O5/c1-3-5-6-13(4-2)14(16)19-12-11-18-10-9-17-8-7-15/h13,15H,3-12H2,1-2H3

InChIKey

YDMUHPNUJGYGMC-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 312
Patents: 276.19366 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]+	277.200936	169.9
[M+Na]+	299.182878	173.0
[M-H]-	275.186384	167.3
[M+NH4]+	294.227483	185.2
[M+K]+	315.156818	172.6
[M+H-H2O]+	259.190920	163.5
[M+HCOO]-	321.191861	188.9
[M+CH3COO]-	335.207511	198.5
[M+Na-2H]-	297.168326	169.8
[M]+	276.19311142	177.5
[M]-	276.19420858	177.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe