CID 86278227

Hetester pha

Structural Information

Molecular Formula
C25H50O4
SMILES
CCCCCCCCCCC(CCCCCC)COCC(C)OCCOC(=O)C
InChI
InChI=1S/C25H50O4/c1-5-7-9-11-12-13-14-16-18-25(17-15-10-8-6-2)22-27-21-23(3)28-19-20-29-24(4)26/h23,25H,5-22H2,1-4H3
InChIKey
OJDYHYHPMJTDEQ-UHFFFAOYSA-N
Compound name
2-[1-(2-hexyldodecoxy)propan-2-yloxy]ethyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

386
Patents

414.3709 Da
Monoisotopic Mass

8.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.37818 212.1
[M+Na]+ 437.36012 216.9
[M+NH4]+ 432.40472 224.1
[M+K]+ 453.33406 221.5
[M-H]- 413.36362 210.1
[M+Na-2H]- 435.34557 209.3
[M]+ 414.37035 211.4
[M]- 414.37145 211.4
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