CID 44152044

Isoundecyl undecyl phthalate

Structural Information

Molecular Formula
C30H50O4
SMILES
CCCCCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCCCC(C)C
InChI
InChI=1S/C30H50O4/c1-4-5-6-7-8-9-11-14-19-24-33-29(31)27-22-17-18-23-28(27)30(32)34-25-20-15-12-10-13-16-21-26(2)3/h17-18,22-23,26H,4-16,19-21,24-25H2,1-3H3
InChIKey
OYHZQPKPMIDXGI-UHFFFAOYSA-N
Compound name
2-O-(9-methyldecyl) 1-O-undecyl benzene-1,2-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

474.3709 Da
Monoisotopic Mass

12.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 475.37818 227.2
[M+Na]+ 497.36012 234.3
[M+NH4]+ 492.40472 230.5
[M+K]+ 513.33406 225.9
[M-H]- 473.36362 226.5
[M+Na-2H]- 495.34557 227.1
[M]+ 474.37035 227.6
[M]- 474.37145 227.6
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.