CID 3014870

1-ethoxyoctadecane

Structural Information

Molecular Formula
C20H42O
SMILES
CCCCCCCCCCCCCCCCCCOCC
InChI
InChI=1S/C20H42O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-4-2/h3-20H2,1-2H3
InChIKey
DGLWHXRTXWIDEE-UHFFFAOYSA-N
Compound name
1-ethoxyoctadecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

1611
Patents

298.32358 Da
Monoisotopic Mass

9.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.330856 185.6
[M+Na]+ 321.312798 187.0
[M-H]- 297.316304 183.2
[M+NH4]+ 316.357403 201.2
[M+K]+ 337.286738 183.6
[M+H-H2O]+ 281.320840 178.5
[M+HCOO]- 343.321781 205.0
[M+CH3COO]- 357.337431 211.5
[M+Na-2H]- 319.298246 185.1
[M]+ 298.32303142 193.7
[M]- 298.32412858 193.7
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