CID 6436364

Peg-3 oleate

Structural Information

Molecular Formula
C24H46O5
SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)OCCOCCOCCO
InChI
InChI=1S/C24H46O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(26)29-23-22-28-21-20-27-19-18-25/h9-10,25H,2-8,11-23H2,1H3/b10-9-
InChIKey
RMLRKDHXZUVGCH-KTKRTIGZSA-N
Compound name
2-[2-(2-hydroxyethoxy)ethoxy]ethyl (Z)-octadec-9-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

96
Patents

414.33453 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.34181 210.4
[M+Na]+ 437.32375 215.0
[M+NH4]+ 432.36835 217.1
[M+K]+ 453.29769 216.6
[M-H]- 413.32725 204.4
[M+Na-2H]- 435.30920 207.4
[M]+ 414.33398 213.8
[M]- 414.33508 213.8
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