CID 165355069

Dtxsid901204254

Structural Information

Molecular Formula
C17H28O2
SMILES
CCCC1=CC=C(C=C1)OCCCCCCCCO
InChI
InChI=1S/C17H28O2/c1-2-9-16-10-12-17(13-11-16)19-15-8-6-4-3-5-7-14-18/h10-13,18H,2-9,14-15H2,1H3
InChIKey
NWIBJWODRMXBRT-UHFFFAOYSA-N
Compound name
8-(4-propylphenoxy)octan-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

264.20892 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.216196 167.3
[M+Na]+ 287.198138 171.7
[M-H]- 263.201644 168.3
[M+NH4]+ 282.242743 183.5
[M+K]+ 303.172078 168.0
[M+H-H2O]+ 247.206180 160.3
[M+HCOO]- 309.207121 188.2
[M+CH3COO]- 323.222771 198.0
[M+Na-2H]- 285.183586 170.0
[M]+ 264.20837142 171.5
[M]- 264.20946858 171.5
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.