CID 95524

61827-64-3

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
1
Annotation Hits

0
References

19
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 183.1
[M+Na]+ 357.20364 192.0
[M+NH4]+ 352.24824 188.1
[M+K]+ 373.17758 186.8
[M-H]- 333.20714 182.7
[M+Na-2H]- 355.18909 185.3
[M]+ 334.21387 183.9
[M]- 334.21497 183.9
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