CID 172921

71850-03-8

Structural Information

Molecular Formula

C₁₆H₃₀O₆

SMILES

COCCOC(=O)CCCCCCCCC(=O)OCCOC

InChI

InChI=1S/C16H30O6/c1-19-11-13-21-15(17)9-7-5-3-4-6-8-10-16(18)22-14-12-20-2/h3-14H2,1-2H3

InChIKey

JGDURTCBAJOZDJ-UHFFFAOYSA-N

Compound name

bis(2-methoxyethyl) decanedioate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 318.20422 Da
Monoisotopic Mass: 2.5
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]+	319.21150	179.2
[M+Na]+	341.19344	182.2
[M-H]-	317.19694	177.7
[M+NH4]+	336.23804	193.5
[M+K]+	357.16738	182.2
[M+H-H2O]+	301.20148	172.1
[M+HCOO]-	363.20242	199.6
[M+CH3COO]-	377.21807	207.5
[M+Na-2H]-	339.17889	178.8
[M]+	318.20367	190.2
[M]-	318.20477	190.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe