CID 117849

Tetradecanoic acid, 1,4-butanediyl ester

Structural Information

Molecular Formula
C32H62O4
SMILES
CCCCCCCCCCCCCC(=O)OCCCCOC(=O)CCCCCCCCCCCCC
InChI
InChI=1S/C32H62O4/c1-3-5-7-9-11-13-15-17-19-21-23-27-31(33)35-29-25-26-30-36-32(34)28-24-22-20-18-16-14-12-10-8-6-4-2/h3-30H2,1-2H3
InChIKey
HAVZZMORNRVMDE-UHFFFAOYSA-N
Compound name
4-tetradecanoyloxybutyl tetradecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

510.4648 Da
Monoisotopic Mass

13.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 511.47208 243.8
[M+Na]+ 533.45402 244.8
[M+NH4]+ 528.49862 244.1
[M+K]+ 549.42796 243.6
[M-H]- 509.45752 228.4
[M+Na-2H]- 531.43947 243.5
[M]+ 510.46425 239.7
[M]- 510.46535 239.7
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