CID 144261

P-octyloxybenzyl alcohol

Structural Information

Molecular Formula

C₁₅H₂₄O₂

SMILES

CCCCCCCCOC1=CC=C(C=C1)CO

InChI

InChI=1S/C15H24O2/c1-2-3-4-5-6-7-12-17-15-10-8-14(13-16)9-11-15/h8-11,16H,2-7,12-13H2,1H3

InChIKey

BVSGXVHDNMPZSE-UHFFFAOYSA-N

Compound name

(4-octoxyphenyl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 56
Patents: 236.17763 Da
Monoisotopic Mass: 4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	237.184906	158.2
[M+Na]+	259.166848	163.5
[M-H]-	235.170354	159.5
[M+NH4]+	254.211453	175.5
[M+K]+	275.140788	160.2
[M+H-H2O]+	219.174890	151.6
[M+HCOO]-	281.175831	179.7
[M+CH3COO]-	295.191481	191.9
[M+Na-2H]-	257.152296	161.9
[M]+	236.17708142	161.7
[M]-	236.17817858	161.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe