CID 23339974

Dtxsid801204601

Structural Information

Molecular Formula
C38H78O2
SMILES
CCCCCCCCCCCCCCCCCCOCCOCCCCCCCCCCCCCCCCCC
InChI
InChI=1S/C38H78O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-39-37-38-40-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-38H2,1-2H3
InChIKey
WLVBPFQVOWGFIT-UHFFFAOYSA-N
Compound name
1-(2-octadecoxyethoxy)octadecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

79
Patents

566.60016 Da
Monoisotopic Mass

17.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 567.60744 264.4
[M+Na]+ 589.58938 268.2
[M-H]- 565.59288 241.4
[M+NH4]+ 584.63398 260.7
[M+K]+ 605.56332 270.2
[M+H-H2O]+ 549.59742 262.9
[M+HCOO]- 611.59836 272.1
[M+CH3COO]- 625.61401 264.9
[M+Na-2H]- 587.57483 245.9
[M]+ 566.59961 265.1
[M]- 566.60071 265.1
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