CID 13010398

50483-32-4

Structural Information

Molecular Formula

C₁₄H₁₆O

SMILES

CC(C)(C)C1=CC=C(C2=CC=CC=C21)O

InChI

InChI=1S/C14H16O/c1-14(2,3)12-8-9-13(15)11-7-5-4-6-10(11)12/h4-9,15H,1-3H3

InChIKey

CGKJTQFVWGRAMC-UHFFFAOYSA-N

Compound name

4-tert-butylnaphthalen-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 77
Patents: 200.12012 Da
Monoisotopic Mass: 4.5
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]+	201.12740	144.6
[M+Na]+	223.10934	153.3
[M-H]-	199.11284	148.3
[M+NH4]+	218.15394	165.0
[M+K]+	239.08328	149.6
[M+H-H2O]+	183.11738	139.5
[M+HCOO]-	245.11832	164.6
[M+CH3COO]-	259.13397	185.2
[M+Na-2H]-	221.09479	152.3
[M]+	200.11957	144.9
[M]-	200.12067	144.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe