CID 3015545

Octyl-2-naphthol

Structural Information

Molecular Formula

C₁₈H₂₄O

SMILES

CCCCCCCCC1=C(C=CC2=CC=CC=C21)O

InChI

InChI=1S/C18H24O/c1-2-3-4-5-6-7-12-17-16-11-9-8-10-15(16)13-14-18(17)19/h8-11,13-14,19H,2-7,12H2,1H3

InChIKey

AAZCPESOYPGWEG-UHFFFAOYSA-N

Compound name

1-octylnaphthalen-2-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 13
Patents: 256.1827 Da
Monoisotopic Mass: 6.9
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]+	257.189976	162.8
[M+Na]+	279.171918	169.2
[M-H]-	255.175424	165.3
[M+NH4]+	274.216523	180.6
[M+K]+	295.145858	164.0
[M+H-H2O]+	239.179960	156.1
[M+HCOO]-	301.180901	183.0
[M+CH3COO]-	315.196551	197.5
[M+Na-2H]-	277.157366	167.5
[M]+	256.18215142	165.0
[M]-	256.18324858	165.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe