CID 95524

Einecs 263-256-4

Structural Information

Molecular Formula
C20H30O4
SMILES
CCCCC(CC)COC(=O)C1=CC=CC=C1C(=O)OCC(C)C
InChI
InChI=1S/C20H30O4/c1-5-7-10-16(6-2)14-24-20(22)18-12-9-8-11-17(18)19(21)23-13-15(3)4/h8-9,11-12,15-16H,5-7,10,13-14H2,1-4H3
InChIKey
GEWZPNMYMLQKGF-UHFFFAOYSA-N
Compound name
2-O-(2-ethylhexyl) 1-O-(2-methylpropyl) benzene-1,2-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

30
Patents

334.21442 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.221696 184.9
[M+Na]+ 357.203638 188.1
[M-H]- 333.207144 187.2
[M+NH4]+ 352.248243 198.5
[M+K]+ 373.177578 186.5
[M+H-H2O]+ 317.211680 177.4
[M+HCOO]- 379.212621 203.1
[M+CH3COO]- 393.228271 213.8
[M+Na-2H]- 355.189086 181.7
[M]+ 334.21387142 191.0
[M]- 334.21496858 191.0
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