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

117
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 224.6
[M+Na]+ 481.34997 229.3
[M-H]- 457.35347 211.8
[M+NH4]+ 476.39457 224.4
[M+K]+ 497.32391 225.6
[M+H-H2O]+ 441.35801 213.4
[M+HCOO]- 503.35895 235.0
[M+CH3COO]- 517.37460 233.3
[M+Na-2H]- 479.33542 210.9
[M]+ 458.36020 224.6
[M]- 458.36130 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