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]+ 425.362536 208.8
[M+Na]+ 447.344478 211.6
[M-H]- 423.347984 215.1
[M+NH4]+ 442.389083 209.2
[M+K]+ 463.318418 211.0
[M+H-H2O]+ 407.352520 201.7
[M+HCOO]- 469.353461 221.5
[M+CH3COO]- 483.369111 236.3
[M+Na-2H]- 445.329926 206.4
[M]+ 424.35471142 223.7
[M]- 424.35580858 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