CID 82478

10233-24-6

Structural Information

Molecular Formula
C24H48O5
SMILES
CCCCCCCCCCCCCCCCCC(=O)OCCOCCOCCO
InChI
InChI=1S/C24H48O5/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/h25H,2-23H2,1H3
InChIKey
QKSBICQDOPKLQM-UHFFFAOYSA-N
Compound name
2-[2-(2-hydroxyethoxy)ethoxy]ethyl octadecanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

241
Patents

416.3502 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.35748 213.3
[M+Na]+ 439.33942 212.4
[M-H]- 415.34292 203.5
[M+NH4]+ 434.38402 215.8
[M+K]+ 455.31336 209.0
[M+H-H2O]+ 399.34746 204.8
[M+HCOO]- 461.34840 227.3
[M+CH3COO]- 475.36405 227.0
[M+Na-2H]- 437.32487 209.3
[M]+ 416.34965 225.3
[M]- 416.35075 225.3
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

patents stripe