CID 80526

Dioctadecyl ether

Structural Information

Molecular Formula
C36H74O
SMILES
CCCCCCCCCCCCCCCCCCOCCCCCCCCCCCCCCCCCC
InChI
InChI=1S/C36H74O/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-36H2,1-2H3
InChIKey
HBXWUCXDUUJDRB-UHFFFAOYSA-N
Compound name
1-octadecoxyoctadecane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

15
References

46561
Patents

522.574 Da
Monoisotopic Mass

17.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 523.58128 255.8
[M+Na]+ 545.56322 260.5
[M-H]- 521.56672 232.9
[M+NH4]+ 540.60782 251.4
[M+K]+ 561.53716 261.7
[M+H-H2O]+ 505.57126 243.5
[M+HCOO]- 567.57220 264.1
[M+CH3COO]- 581.58785 257.8
[M+Na-2H]- 543.54867 238.5
[M]+ 522.57345 256.8
[M]- 522.57455 256.8
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