CID 33713

2,2'-oxybis-1-propanol dibenzoate

Structural Information

Molecular Formula
C20H22O5
SMILES
CC(COC(=O)C1=CC=CC=C1)OC(C)COC(=O)C2=CC=CC=C2
InChI
InChI=1S/C20H22O5/c1-15(13-23-19(21)17-9-5-3-6-10-17)25-16(2)14-24-20(22)18-11-7-4-8-12-18/h3-12,15-16H,13-14H2,1-2H3
InChIKey
CGLQOIMEUPORRI-UHFFFAOYSA-N
Compound name
2-(1-benzoyloxypropan-2-yloxy)propyl benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

747
Patents

342.14673 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.15401 182.1
[M+Na]+ 365.13595 185.1
[M-H]- 341.13945 187.7
[M+NH4]+ 360.18055 194.3
[M+K]+ 381.10989 183.8
[M+H-H2O]+ 325.14399 173.2
[M+HCOO]- 387.14493 201.8
[M+CH3COO]- 401.16058 210.6
[M+Na-2H]- 363.12140 182.2
[M]+ 342.14618 186.3
[M]- 342.14728 186.3
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