CID 11310876

2-(4-octylphenyl)ethanol

Structural Information

Molecular Formula
C16H26O
SMILES
CCCCCCCCC1=CC=C(C=C1)CCO
InChI
InChI=1S/C16H26O/c1-2-3-4-5-6-7-8-15-9-11-16(12-10-15)13-14-17/h9-12,17H,2-8,13-14H2,1H3
InChIKey
BUVAWTAMOZOVNN-UHFFFAOYSA-N
Compound name
2-(4-octylphenyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

73
Patents

234.19836 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.205636 159.5
[M+Na]+ 257.187578 164.4
[M-H]- 233.191084 160.7
[M+NH4]+ 252.232183 177.0
[M+K]+ 273.161518 160.4
[M+H-H2O]+ 217.195620 153.0
[M+HCOO]- 279.196561 180.4
[M+CH3COO]- 293.212211 193.0
[M+Na-2H]- 255.173026 162.7
[M]+ 234.19781142 161.9
[M]- 234.19890858 161.9
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

patents stripe