CID 100919

Diethylene glycol adipate

Structural Information

Molecular Formula
C10H18O6
SMILES
C(CCC(=O)OCCOCCO)CC(=O)O
InChI
InChI=1S/C10H18O6/c11-5-6-15-7-8-16-10(14)4-2-1-3-9(12)13/h11H,1-8H2,(H,12,13)
InChIKey
BATDEVCTYREDAX-UHFFFAOYSA-N
Compound name
6-[2-(2-hydroxyethoxy)ethoxy]-6-oxohexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1097
Patents

234.11034 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.11762 152.6
[M+Na]+ 257.09956 157.2
[M-H]- 233.10306 149.3
[M+NH4]+ 252.14416 168.7
[M+K]+ 273.07350 156.8
[M+H-H2O]+ 217.10760 146.9
[M+HCOO]- 279.10854 171.9
[M+CH3COO]- 293.12419 185.4
[M+Na-2H]- 255.08501 154.2
[M]+ 234.10979 157.5
[M]- 234.11089 157.5
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