CID 117851

Ditetradecyl adipate

Structural Information

Molecular Formula
C34H66O4
SMILES
CCCCCCCCCCCCCCOC(=O)CCCCC(=O)OCCCCCCCCCCCCCC
InChI
InChI=1S/C34H66O4/c1-3-5-7-9-11-13-15-17-19-21-23-27-31-37-33(35)29-25-26-30-34(36)38-32-28-24-22-20-18-16-14-12-10-8-6-4-2/h3-32H2,1-2H3
InChIKey
QZQPCVVMCYMSFX-UHFFFAOYSA-N
Compound name
ditetradecyl hexanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

641
Patents

538.4961 Da
Monoisotopic Mass

13.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 539.50338 250.6
[M+Na]+ 561.48532 251.4
[M+NH4]+ 556.52992 250.8
[M+K]+ 577.45926 250.6
[M-H]- 537.48882 234.5
[M+Na-2H]- 559.47077 249.6
[M]+ 538.49555 246.3
[M]- 538.49665 246.3
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