CID 13199235

Adipic acid, di(2-decyl) ester

Structural Information

Molecular Formula
C26H50O4
SMILES
CCCCCCCCC(C)OC(=O)CCCCC(=O)OC(C)CCCCCCCC
InChI
InChI=1S/C26H50O4/c1-5-7-9-11-13-15-19-23(3)29-25(27)21-17-18-22-26(28)30-24(4)20-16-14-12-10-8-6-2/h23-24H,5-22H2,1-4H3
InChIKey
IGVHWJNDFUYLAR-UHFFFAOYSA-N
Compound name
didecan-2-yl hexanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

426.3709 Da
Monoisotopic Mass

9.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.378176 220.6
[M+Na]+ 449.360118 227.1
[M-H]- 425.363624 209.7
[M+NH4]+ 444.404723 224.2
[M+K]+ 465.334058 216.6
[M+H-H2O]+ 409.368160 212.5
[M+HCOO]- 471.369101 223.9
[M+CH3COO]- 485.384751 234.4
[M+Na-2H]- 447.345566 212.3
[M]+ 426.37035142 220.5
[M]- 426.37144858 220.5
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

patents stripe