CID 101560

Oxydipropyl dibenzoate

Structural Information

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

2D Structure

compound 2d structure
3
Annotation Hits

0
References

134
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 180.3
[M+Na]+ 365.13595 191.3
[M+NH4]+ 360.18055 186.0
[M+K]+ 381.10989 186.0
[M-H]- 341.13945 182.3
[M+Na-2H]- 363.12140 186.7
[M]+ 342.14618 182.2
[M]- 342.14728 182.2
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