CID 12298470

3-(tert-butyl)naphthalen-2-ol

Structural Information

Molecular Formula

C₁₄H₁₆O

SMILES

CC(C)(C)C1=CC2=CC=CC=C2C=C1O

InChI

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

InChIKey

QDJWFVOKZOKEQH-UHFFFAOYSA-N

Compound name

3-tert-butylnaphthalen-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 67
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	144.7
[M+Na]+	223.10934	159.3
[M+NH4]+	218.15394	154.5
[M+K]+	239.08328	151.9
[M-H]-	199.11284	147.8
[M+Na-2H]-	221.09479	152.4
[M]+	200.11957	148.0
[M]-	200.12067	148.0

Literature stripe

literature stripe

Patent stripe

patents stripe