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	167.2
[M+Na]+	301.16216	171.4
[M-H]-	277.16566	165.0
[M+NH4]+	296.20676	182.7
[M+K]+	317.13610	171.8
[M+H-H2O]+	261.17020	161.4
[M+HCOO]-	323.17114	186.3
[M+CH3COO]-	337.18679	196.5
[M+Na-2H]-	299.14761	170.0
[M]+	278.17239	176.0
[M]-	278.17349	176.0

Literature stripe

literature stripe

Patent stripe

patents stripe