CID 3625858

186020-66-6

Structural Information

Molecular Formula

C₁₃H₂₆O₆

SMILES

CC(C)(C)OC(=O)CCOCCOCCOCCO

InChI

InChI=1S/C13H26O6/c1-13(2,3)19-12(15)4-6-16-8-10-18-11-9-17-7-5-14/h14H,4-11H2,1-3H3

InChIKey

KSXVEOLRERRELV-UHFFFAOYSA-N

Compound name

tert-butyl 3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]propanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 572
Patents: 278.17294 Da
Monoisotopic Mass: -0.1
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]+	279.18022	165.7
[M+Na]+	301.16216	171.8
[M+NH4]+	296.20676	169.5
[M+K]+	317.13610	168.8
[M-H]-	277.16566	161.2
[M+Na-2H]-	299.14761	165.1
[M]+	278.17239	164.8
[M]-	278.17349	164.8

Literature stripe

literature stripe

Patent stripe

patents stripe