CID 18407478

Schembl5145790

Structural Information

Molecular Formula
C24H48O6
SMILES
CCCCCCCCCCCCCCCC(=O)OCCOCCOCCOCCO
InChI
InChI=1S/C24H48O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-24(26)30-23-22-29-21-20-28-19-18-27-17-16-25/h25H,2-23H2,1H3
InChIKey
MLWVTLFAQAGOGZ-UHFFFAOYSA-N
Compound name
2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl hexadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

215
Patents

432.3451 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.352376 215.2
[M+Na]+ 455.334318 224.0
[M-H]- 431.337824 206.7
[M+NH4]+ 450.378923 219.1
[M+K]+ 471.308258 211.4
[M+H-H2O]+ 415.342360 206.4
[M+HCOO]- 477.343301 230.0
[M+CH3COO]- 491.358951 228.9
[M+Na-2H]- 453.319766 211.4
[M]+ 432.34455142 219.9
[M]- 432.34564858 219.9
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