CID 2733640

1-(hydroxymethyl)-2-methoxynaphthalene

Structural Information

Molecular Formula

C₁₂H₁₂O₂

SMILES

COC1=C(C2=CC=CC=C2C=C1)CO

InChI

InChI=1S/C12H12O2/c1-14-12-7-6-9-4-2-3-5-10(9)11(12)8-13/h2-7,13H,8H2,1H3

InChIKey

VBHARLNUEDIKQD-UHFFFAOYSA-N

Compound name

(2-methoxynaphthalen-1-yl)methanol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 162
Patents: 188.08372 Da
Monoisotopic Mass: 2.3
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]+	189.090996	138.0
[M+Na]+	211.072938	147.0
[M-H]-	187.076444	141.7
[M+NH4]+	206.117543	158.5
[M+K]+	227.046878	143.8
[M+H-H2O]+	171.080980	132.3
[M+HCOO]-	233.081921	160.5
[M+CH3COO]-	247.097571	181.5
[M+Na-2H]-	209.058386	146.1
[M]+	188.08317142	139.6
[M]-	188.08426858	139.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe