CID 77078248

518044-31-0

Structural Information

Molecular Formula

C₁₂H₂₄O₆

SMILES

CC(C)(C)OC(=O)COCCOCCOCCO

InChI

InChI=1S/C12H24O6/c1-12(2,3)18-11(14)10-17-9-8-16-7-6-15-5-4-13/h13H,4-10H2,1-3H3

InChIKey

YZXRUQCLSBHYHG-UHFFFAOYSA-N

Compound name

tert-butyl 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 123
Patents: 264.1573 Da
Monoisotopic Mass: 0.0
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]+	265.16458	162.6
[M+Na]+	287.14652	167.2
[M-H]-	263.15002	160.6
[M+NH4]+	282.19112	178.6
[M+K]+	303.12046	167.9
[M+H-H2O]+	247.15456	157.0
[M+HCOO]-	309.15550	182.0
[M+CH3COO]-	323.17115	193.5
[M+Na-2H]-	285.13197	165.9
[M]+	264.15675	171.1
[M]-	264.15785	171.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe