CID 114078

29059-00-5

Structural Information

Molecular Formula
C24H46O5
SMILES
CCCCCCCCC(=O)OCCCOCCCOC(=O)CCCCCCCC
InChI
InChI=1S/C24H46O5/c1-3-5-7-9-11-13-17-23(25)28-21-15-19-27-20-16-22-29-24(26)18-14-12-10-8-6-4-2/h3-22H2,1-2H3
InChIKey
QNQFILNCKAALEB-UHFFFAOYSA-N
Compound name
3-(3-nonanoyloxypropoxy)propyl nonanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2
Patents

414.33453 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.34181 213.0
[M+Na]+ 437.32375 212.7
[M-H]- 413.32725 204.1
[M+NH4]+ 432.36835 217.9
[M+K]+ 453.29769 210.1
[M+H-H2O]+ 397.33179 204.6
[M+HCOO]- 459.33273 225.5
[M+CH3COO]- 473.34838 228.9
[M+Na-2H]- 435.30920 208.3
[M]+ 414.33398 216.6
[M]- 414.33508 216.6
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