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

2
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

patents stripe