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
3
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 260.9
[M+Na]+ 607.52718 264.7
[M-H]- 583.53068 243.1
[M+NH4]+ 602.57178 261.5
[M+K]+ 623.50112 265.6
[M+H-H2O]+ 567.53522 260.9
[M+HCOO]- 629.53616 268.2
[M+CH3COO]- 643.55181 263.4
[M+Na-2H]- 605.51263 243.3
[M]+ 584.53741 261.6
[M]- 584.53851 261.6
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