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
3
Annotation Hits

0
References

99
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 211.9
[M+Na]+ 437.32375 211.4
[M-H]- 413.32725 201.9
[M+NH4]+ 432.36835 213.7
[M+K]+ 453.29769 207.4
[M+H-H2O]+ 397.33179 203.6
[M+HCOO]- 459.33273 225.8
[M+CH3COO]- 473.34838 225.7
[M+Na-2H]- 435.30920 208.0
[M]+ 414.33398 223.1
[M]- 414.33508 223.1
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