CID 278678

57322-44-8

Structural Information

Molecular Formula

C₁₂H₁₂O

SMILES

CC1=CC=C(C2=CC=CC=C12)CO

InChI

InChI=1S/C12H12O/c1-9-6-7-10(8-13)12-5-3-2-4-11(9)12/h2-7,13H,8H2,1H3

InChIKey

RRSGUDDGNKMFRY-UHFFFAOYSA-N

Compound name

(4-methylnaphthalen-1-yl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 46
Patents: 172.08882 Da
Monoisotopic Mass: 3.1
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	134.5
[M+Na]+	195.07804	143.7
[M-H]-	171.08154	138.3
[M+NH4]+	190.12264	155.8
[M+K]+	211.05198	139.9
[M+H-H2O]+	155.08608	129.2
[M+HCOO]-	217.08702	156.8
[M+CH3COO]-	231.10267	179.5
[M+Na-2H]-	193.06349	142.7
[M]+	172.08827	134.7
[M]-	172.08937	134.7

Literature stripe

literature stripe

Patent stripe

patents stripe