CID 45190

2,3-epoxy-2-ethylhexyl 9,10-epoxyoctadecanoate

Structural Information

Molecular Formula
C26H48O4
SMILES
CCCCCCCCC1C(O1)CCCCCCCC(=O)OCC2(C(O2)CCC)CC
InChI
InChI=1S/C26H48O4/c1-4-7-8-9-11-14-18-22-23(29-22)19-15-12-10-13-16-20-25(27)28-21-26(6-3)24(30-26)17-5-2/h22-24H,4-21H2,1-3H3
InChIKey
VVTGLOLVCWBTSW-UHFFFAOYSA-N
Compound name
(2-ethyl-3-propyloxiran-2-yl)methyl 8-(3-octyloxiran-2-yl)octanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

424.35526 Da
Monoisotopic Mass

8.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.36254 208.8
[M+Na]+ 447.34448 211.6
[M-H]- 423.34798 215.1
[M+NH4]+ 442.38908 209.2
[M+K]+ 463.31842 211.0
[M+H-H2O]+ 407.35252 201.7
[M+HCOO]- 469.35346 221.5
[M+CH3COO]- 483.36911 236.3
[M+Na-2H]- 445.32993 206.4
[M]+ 424.35471 223.7
[M]- 424.35581 223.7
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