CID 87050

3-methylnaphthalen-2-ol

Structural Information

Molecular Formula

C₁₁H₁₀O

SMILES

CC1=CC2=CC=CC=C2C=C1O

InChI

InChI=1S/C11H10O/c1-8-6-9-4-2-3-5-10(9)7-11(8)12/h2-7,12H,1H3

InChIKey

MYRXDLASSYFCAC-UHFFFAOYSA-N

Compound name

3-methylnaphthalen-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 399
Patents: 158.07317 Da
Monoisotopic Mass: 3.2
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]+	159.08045	130.3
[M+Na]+	181.06239	145.8
[M+NH4]+	176.10699	140.8
[M+K]+	197.03633	137.9
[M-H]-	157.06589	134.1
[M+Na-2H]-	179.04784	138.9
[M]+	158.07262	133.8
[M]-	158.07372	133.8

Literature stripe

literature stripe

Patent stripe

patents stripe