CID 172921

Decanedioic acid, bis(2-methoxyethyl) ester

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
2
Annotation Hits

0
References

12
Patents

318.20422 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.211496 179.2
[M+Na]+ 341.193438 182.2
[M-H]- 317.196944 177.7
[M+NH4]+ 336.238043 193.5
[M+K]+ 357.167378 182.2
[M+H-H2O]+ 301.201480 172.1
[M+HCOO]- 363.202421 199.6
[M+CH3COO]- 377.218071 207.5
[M+Na-2H]- 339.178886 178.8
[M]+ 318.20367142 190.2
[M]- 318.20476858 190.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe