CID 85808201

[2-hydroxy-3-(3-methylbutoxy)propyl] octadec-2-enoate

Structural Information

Molecular Formula
C26H50O4
SMILES
CCCCCCCCCCCCCCCC=CC(=O)OCC(COCCC(C)C)O
InChI
InChI=1S/C26H50O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-26(28)30-23-25(27)22-29-21-20-24(2)3/h18-19,24-25,27H,4-17,20-23H2,1-3H3
InChIKey
HLPZZZJXJPXFIM-UHFFFAOYSA-N
Compound name
[2-hydroxy-3-(3-methylbutoxy)propyl] octadec-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

426.3709 Da
Monoisotopic Mass

9.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.37818 216.2
[M+Na]+ 449.36012 224.1
[M+NH4]+ 444.40472 223.1
[M+K]+ 465.33406 221.7
[M-H]- 425.36362 210.6
[M+Na-2H]- 447.34557 212.4
[M]+ 426.37035 219.1
[M]- 426.37145 219.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.