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]+ 235.20564 159.5
[M+Na]+ 257.18758 164.4
[M-H]- 233.19108 160.7
[M+NH4]+ 252.23218 177.0
[M+K]+ 273.16152 160.4
[M+H-H2O]+ 217.19562 153.0
[M+HCOO]- 279.19656 180.4
[M+CH3COO]- 293.21221 193.0
[M+Na-2H]- 255.17303 162.7
[M]+ 234.19781 161.9
[M]- 234.19891 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