CID 3020894

Butyl-1,2,3,4-tetrahydro-1-naphthol

Structural Information

Molecular Formula

C₁₄H₂₀O

SMILES

CCCCC1(CCCC2=CC=CC=C21)O

InChI

InChI=1S/C14H20O/c1-2-3-10-14(15)11-6-8-12-7-4-5-9-13(12)14/h4-5,7,9,15H,2-3,6,8,10-11H2,1H3

InChIKey

DEPHQOGHQQLGNM-UHFFFAOYSA-N

Compound name

1-butyl-3,4-dihydro-2H-naphthalen-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 204.15141 Da
Monoisotopic Mass: 3.4
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]+	205.158686	148.0
[M+Na]+	227.140628	154.2
[M-H]-	203.144134	150.6
[M+NH4]+	222.185233	169.5
[M+K]+	243.114568	150.4
[M+H-H2O]+	187.148670	142.4
[M+HCOO]-	249.149611	166.7
[M+CH3COO]-	263.165261	184.6
[M+Na-2H]-	225.126076	154.6
[M]+	204.15086142	145.8
[M]-	204.15195858	145.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe