CID 6437724

Einecs 233-293-0

Structural Information

Molecular Formula
C26H50O6
SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)OCCOCCOCCOCCO
InChI
InChI=1S/C26H50O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26(28)32-25-24-31-23-22-30-21-20-29-19-18-27/h9-10,27H,2-8,11-25H2,1H3/b10-9-
InChIKey
YFBRYDITTBYWAL-KTKRTIGZSA-N
Compound name
2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl (Z)-octadec-9-enoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

455
Patents

458.36075 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 459.368026 224.6
[M+Na]+ 481.349968 229.3
[M-H]- 457.353474 211.8
[M+NH4]+ 476.394573 224.4
[M+K]+ 497.323908 225.6
[M+H-H2O]+ 441.358010 213.4
[M+HCOO]- 503.358951 235.0
[M+CH3COO]- 517.374601 233.3
[M+Na-2H]- 479.335416 210.9
[M]+ 458.36020142 224.6
[M]- 458.36129858 224.6
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