CID 110266

Di(p-cumylphenyl) glutarate

Structural Information

Molecular Formula
C35H36O4
SMILES
CC(C)(C1=CC=CC=C1)C2=CC=C(C=C2)OC(=O)CCCC(=O)OC3=CC=C(C=C3)C(C)(C)C4=CC=CC=C4
InChI
InChI=1S/C35H36O4/c1-34(2,26-12-7-5-8-13-26)28-18-22-30(23-19-28)38-32(36)16-11-17-33(37)39-31-24-20-29(21-25-31)35(3,4)27-14-9-6-10-15-27/h5-10,12-15,18-25H,11,16-17H2,1-4H3
InChIKey
ZZWYQFFAXIHVRM-UHFFFAOYSA-N
Compound name
bis[4-(2-phenylpropan-2-yl)phenyl] pentanedioate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

520.26135 Da
Monoisotopic Mass

8.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 521.26863 232.6
[M+Na]+ 543.25057 234.0
[M-H]- 519.25407 243.2
[M+NH4]+ 538.29517 236.6
[M+K]+ 559.22451 229.0
[M+H-H2O]+ 503.25861 220.1
[M+HCOO]- 565.25955 247.5
[M+CH3COO]- 579.27520 245.7
[M+Na-2H]- 541.23602 232.5
[M]+ 520.26080 235.2
[M]- 520.26190 235.2
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

No patent data available for this compound.