CID 74734

Dibenzyl azelate

Structural Information

Molecular Formula

C₂₃H₂₈O₄

SMILES

C1=CC=C(C=C1)COC(=O)CCCCCCCC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C23H28O4/c24-22(26-18-20-12-6-4-7-13-20)16-10-2-1-3-11-17-23(25)27-19-21-14-8-5-9-15-21/h4-9,12-15H,1-3,10-11,16-19H2

InChIKey

AEPUKSBIJZXFCI-UHFFFAOYSA-N

Compound name

dibenzyl nonanedioate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 88
Patents: 368.19876 Da
Monoisotopic Mass: 5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	369.20604	192.4
[M+Na]+	391.18798	204.0
[M+NH4]+	386.23258	198.5
[M+K]+	407.16192	195.7
[M-H]-	367.19148	195.3
[M+Na-2H]-	389.17343	199.0
[M]+	368.19821	194.8
[M]-	368.19931	194.8

Literature stripe

literature stripe

Patent stripe

patents stripe