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

648
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 248.6
[M+Na]+ 561.48532 254.5
[M-H]- 537.48882 233.4
[M+NH4]+ 556.52992 250.5
[M+K]+ 577.45926 254.7
[M+H-H2O]+ 521.49336 249.4
[M+HCOO]- 583.49430 255.2
[M+CH3COO]- 597.50995 255.6
[M+Na-2H]- 559.47077 233.5
[M]+ 538.49555 249.4
[M]- 538.49665 249.4
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