CID 93706

Bis(2-hexyldecyl) adipate

Structural Information

Molecular Formula
C38H74O4
SMILES
CCCCCCCCC(CCCCCC)COC(=O)CCCCC(=O)OCC(CCCCCC)CCCCCCCC
InChI
InChI=1S/C38H74O4/c1-5-9-13-17-19-23-29-35(27-21-15-11-7-3)33-41-37(39)31-25-26-32-38(40)42-34-36(28-22-16-12-8-4)30-24-20-18-14-10-6-2/h35-36H,5-34H2,1-4H3
InChIKey
PPOZILIWLOFYOG-UHFFFAOYSA-N
Compound name
bis(2-hexyldecyl) hexanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3636
Patents

594.5587 Da
Monoisotopic Mass

15.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 595.56598 265.4
[M+Na]+ 617.54792 265.8
[M+NH4]+ 612.59252 267.1
[M+K]+ 633.52186 265.7
[M-H]- 593.55142 250.4
[M+Na-2H]- 615.53337 263.8
[M]+ 594.55815 261.6
[M]- 594.55925 261.6
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

patents stripe