CID 22833451

68515-41-3

Structural Information

Molecular Formula
C24H38O4
SMILES
CCC(CC)C(C)COC(=O)C1=CC=CC=C1C(=O)OCC(C)C(CC)CC
InChI
InChI=1S/C24H38O4/c1-7-19(8-2)17(5)15-27-23(25)21-13-11-12-14-22(21)24(26)28-16-18(6)20(9-3)10-4/h11-14,17-20H,7-10,15-16H2,1-6H3
InChIKey
KRGVDPMPDFERJD-UHFFFAOYSA-N
Compound name
bis(3-ethyl-2-methylpentyl) benzene-1,2-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

390.277 Da
Monoisotopic Mass

7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.28428 199.1
[M+Na]+ 413.26622 206.4
[M+NH4]+ 408.31082 203.2
[M+K]+ 429.24016 202.1
[M-H]- 389.26972 198.1
[M+Na-2H]- 411.25167 199.7
[M]+ 390.27645 199.5
[M]- 390.27755 199.5
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.