CID 16492

2136-71-2

Structural Information

Molecular Formula
C18H38O2
SMILES
CCCCCCCCCCCCCCCCOCCO
InChI
InChI=1S/C18H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-20-18-16-19/h19H,2-18H2,1H3
InChIKey
FSAMVJAGJWGWTQ-UHFFFAOYSA-N
Compound name
2-hexadecoxyethanol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

2
References

3975
Patents

286.28717 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.29445 179.9
[M+Na]+ 309.27639 181.7
[M-H]- 285.27989 176.5
[M+NH4]+ 304.32099 195.2
[M+K]+ 325.25033 178.3
[M+H-H2O]+ 269.28443 173.2
[M+HCOO]- 331.28537 198.7
[M+CH3COO]- 345.30102 204.6
[M+Na-2H]- 307.26184 180.1
[M]+ 286.28662 186.8
[M]- 286.28772 186.8
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

No patent data available for this compound.