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

21
Patents

334.21442 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.22170 184.9
[M+Na]+ 357.20364 188.1
[M-H]- 333.20714 187.2
[M+NH4]+ 352.24824 198.5
[M+K]+ 373.17758 186.5
[M+H-H2O]+ 317.21168 177.4
[M+HCOO]- 379.21262 203.1
[M+CH3COO]- 393.22827 213.8
[M+Na-2H]- 355.18909 181.7
[M]+ 334.21387 191.0
[M]- 334.21497 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