CID 59130168

73692-52-1

Structural Information

Molecular Formula

C₁₂H₂₄O₆

SMILES

COCCOCCOCCOCCOCC1CO1

InChI

InChI=1S/C12H24O6/c1-13-2-3-14-4-5-15-6-7-16-8-9-17-10-12-11-18-12/h12H,2-11H2,1H3

InChIKey

YBNLIMPNCMSLBE-UHFFFAOYSA-N

Compound name

2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxymethyl]oxirane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 46
Patents: 264.1573 Da
Monoisotopic Mass: -0.8
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	169.1
[M-H]-	263.15002	166.7
[M+NH4]+	282.19112	173.2
[M+K]+	303.12046	169.3
[M+H-H2O]+	247.15456	154.9
[M+HCOO]-	309.15550	184.9
[M+CH3COO]-	323.17115	198.1
[M+Na-2H]-	285.13197	168.1
[M]+	264.15675	176.3
[M]-	264.15785	176.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe