CID 75050

Ethylene glycol monooctadecyl ether

Structural Information

Molecular Formula
C20H42O2
SMILES
CCCCCCCCCCCCCCCCCCOCCO
InChI
InChI=1S/C20H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22-20-18-21/h21H,2-20H2,1H3
InChIKey
ICIDSZQHPUZUHC-UHFFFAOYSA-N
Compound name
2-octadecoxyethanol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

44
References

23821
Patents

314.31848 Da
Monoisotopic Mass

8.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.325756 188.7
[M+Na]+ 337.307698 189.7
[M-H]- 313.311204 184.9
[M+NH4]+ 332.352303 202.9
[M+K]+ 353.281638 185.8
[M+H-H2O]+ 297.315740 181.6
[M+HCOO]- 359.316681 206.9
[M+CH3COO]- 373.332331 210.5
[M+Na-2H]- 335.293146 187.8
[M]+ 314.31793142 196.4
[M]- 314.31902858 196.4
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