CID 86875

19434-79-8

Structural Information

Molecular Formula
C24H44O4
SMILES
CCCCCCOC(=O)CCCCCCCC1C(O1)CC2C(O2)CCCCC
InChI
InChI=1S/C24H44O4/c1-3-5-7-14-18-26-24(25)17-13-10-8-9-12-16-21-23(28-21)19-22-20(27-22)15-11-6-4-2/h20-23H,3-19H2,1-2H3
InChIKey
DIRXYQPNUXCLAX-UHFFFAOYSA-N
Compound name
hexyl 8-[3-[(3-pentyloxiran-2-yl)methyl]oxiran-2-yl]octanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

396.32397 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.33125 202.9
[M+Na]+ 419.31319 206.1
[M-H]- 395.31669 209.4
[M+NH4]+ 414.35779 202.7
[M+K]+ 435.28713 204.3
[M+H-H2O]+ 379.32123 194.5
[M+HCOO]- 441.32217 217.0
[M+CH3COO]- 455.33782 231.9
[M+Na-2H]- 417.29864 200.2
[M]+ 396.32342 216.8
[M]- 396.32452 216.8
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