CID 6437724

10108-25-5

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
2
Annotation Hits

0
References

99
Patents

458.36075 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 459.36803 227.4
[M+Na]+ 481.34997 228.4
[M+NH4]+ 476.39457 227.4
[M+K]+ 497.32391 226.7
[M-H]- 457.35347 214.0
[M+Na-2H]- 479.33542 228.7
[M]+ 458.36020 223.7
[M]- 458.36130 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