CID 89834

22790-12-1

Structural Information

Molecular Formula

C₁₂H₂₂O₇

SMILES

CC(=O)OCCOCCOCCOCCOC(=O)C

InChI

InChI=1S/C12H22O7/c1-11(13)18-9-7-16-5-3-15-4-6-17-8-10-19-12(2)14/h3-10H2,1-2H3

InChIKey

DXYGJDUJLDXFOD-UHFFFAOYSA-N

Compound name

2-[2-[2-(2-acetyloxyethoxy)ethoxy]ethoxy]ethyl acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 898
Patents: 278.13657 Da
Monoisotopic Mass: -0.4
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]+	279.143846	162.8
[M+Na]+	301.125788	167.3
[M-H]-	277.129294	162.0
[M+NH4]+	296.170393	178.6
[M+K]+	317.099728	168.9
[M+H-H2O]+	261.133830	156.2
[M+HCOO]-	323.134771	184.7
[M+CH3COO]-	337.150421	197.7
[M+Na-2H]-	299.111236	164.6
[M]+	278.13602142	173.7
[M]-	278.13711858	173.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe