CID 75050

2-(octadecyloxy)ethanol

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
3
Annotation Hits

4
References

18714
Patents

314.31848 Da
Monoisotopic Mass

8.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.32576 188.7
[M+Na]+ 337.30770 189.7
[M-H]- 313.31120 184.9
[M+NH4]+ 332.35230 202.9
[M+K]+ 353.28164 185.8
[M+H-H2O]+ 297.31574 181.6
[M+HCOO]- 359.31668 206.9
[M+CH3COO]- 373.33233 210.5
[M+Na-2H]- 335.29315 187.8
[M]+ 314.31793 196.4
[M]- 314.31903 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