CID 121006717

5,7-dimethylnaphthalen-2-ol

Structural Information

Molecular Formula

C₁₂H₁₂O

SMILES

CC1=CC(=C2C=CC(=CC2=C1)O)C

InChI

InChI=1S/C12H12O/c1-8-5-9(2)12-4-3-11(13)7-10(12)6-8/h3-7,13H,1-2H3

InChIKey

PWLJRJQJZLJULV-UHFFFAOYSA-N

Compound name

5,7-dimethylnaphthalen-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 172.08882 Da
Monoisotopic Mass: 4.1
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]+	173.09610	134.6
[M+Na]+	195.07804	150.3
[M+NH4]+	190.12264	144.9
[M+K]+	211.05198	142.3
[M-H]-	171.08154	138.5
[M+Na-2H]-	193.06349	142.7
[M]+	172.08827	138.2
[M]-	172.08937	138.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.