CID 7653

Dibenzyl succinate

Structural Information

Molecular Formula
C18H18O4
SMILES
C1=CC=C(C=C1)COC(=O)CCC(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C18H18O4/c19-17(21-13-15-7-3-1-4-8-15)11-12-18(20)22-14-16-9-5-2-6-10-16/h1-10H,11-14H2
InChIKey
ODBOBZHTGBGYCK-UHFFFAOYSA-N
Compound name
dibenzyl butanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

232
Patents

298.1205 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.12778 170.1
[M+Na]+ 321.10972 182.7
[M+NH4]+ 316.15432 177.0
[M+K]+ 337.08366 175.5
[M-H]- 297.11322 173.1
[M+Na-2H]- 319.09517 178.0
[M]+ 298.11995 172.6
[M]- 298.12105 172.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe