CID 3020636

Decyl 2-ethylhexyl phthalate

Structural Information

Molecular Formula
C26H42O4
SMILES
CCCCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCC(CC)CCCC
InChI
InChI=1S/C26H42O4/c1-4-7-9-10-11-12-13-16-20-29-25(27)23-18-14-15-19-24(23)26(28)30-21-22(6-3)17-8-5-2/h14-15,18-19,22H,4-13,16-17,20-21H2,1-3H3
InChIKey
GMMDKTJONHGTSN-UHFFFAOYSA-N
Compound name
1-O-decyl 2-O-(2-ethylhexyl) benzene-1,2-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

418.30832 Da
Monoisotopic Mass

8.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.31560 212.7
[M+Na]+ 441.29754 213.4
[M-H]- 417.30104 213.6
[M+NH4]+ 436.34214 222.8
[M+K]+ 457.27148 209.9
[M+H-H2O]+ 401.30558 203.8
[M+HCOO]- 463.30652 229.8
[M+CH3COO]- 477.32217 230.5
[M+Na-2H]- 439.28299 207.4
[M]+ 418.30777 221.5
[M]- 418.30887 221.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.