CID 77757

Dihexadecyl ether

Structural Information

Molecular Formula
C32H66O
SMILES
CCCCCCCCCCCCCCCCOCCCCCCCCCCCCCCCC
InChI
InChI=1S/C32H66O/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-32H2,1-2H3
InChIKey
FDCJDKXCCYFOCV-UHFFFAOYSA-N
Compound name
1-hexadecoxyhexadecane
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

27
References

38823
Patents

466.51135 Da
Monoisotopic Mass

15.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 467.51863 237.3
[M+Na]+ 489.50057 233.7
[M-H]- 465.50407 232.4
[M+NH4]+ 484.54517 237.3
[M+K]+ 505.47451 227.1
[M+H-H2O]+ 449.50861 227.8
[M+HCOO]- 511.50955 251.4
[M+CH3COO]- 525.52520 246.4
[M+Na-2H]- 487.48602 230.5
[M]+ 466.51080 249.9
[M]- 466.51190 249.9
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