CID 3020008

84605-14-1

Structural Information

Molecular Formula
C36H72O5
SMILES
CCCCCCCCCCCCCCCC(=O)OCCOCCOCCOCCCCCCCCCCCCCC
InChI
InChI=1S/C36H72O5/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-36(37)41-35-34-40-33-32-39-31-30-38-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h3-35H2,1-2H3
InChIKey
YQHRLGWKUFGMKU-UHFFFAOYSA-N
Compound name
2-[2-(2-tetradecoxyethoxy)ethoxy]ethyl hexadecanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

99
Patents

584.53796 Da
Monoisotopic Mass

13.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 585.54524 261.8
[M+Na]+ 607.52718 261.6
[M+NH4]+ 602.57178 261.7
[M+K]+ 623.50112 261.6
[M-H]- 583.53068 243.5
[M+Na-2H]- 605.51263 259.4
[M]+ 584.53741 256.9
[M]- 584.53851 256.9
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