CID 165345450

Dtxsid801211739

Structural Information

Molecular Formula
C16H26O2
SMILES
CCC1=CC=C(C=C1)OCCCCCCCCO
InChI
InChI=1S/C16H26O2/c1-2-15-9-11-16(12-10-15)18-14-8-6-4-3-5-7-13-17/h9-12,17H,2-8,13-14H2,1H3
InChIKey
BAPOWYOAKMZMRN-UHFFFAOYSA-N
Compound name
8-(4-ethylphenoxy)octan-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

250.19328 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.200556 162.8
[M+Na]+ 273.182498 167.6
[M-H]- 249.186004 163.9
[M+NH4]+ 268.227103 179.5
[M+K]+ 289.156438 164.1
[M+H-H2O]+ 233.190540 156.0
[M+HCOO]- 295.191481 183.9
[M+CH3COO]- 309.207131 195.0
[M+Na-2H]- 271.167946 166.0
[M]+ 250.19273142 166.6
[M]- 250.19382858 166.6
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.