CID 74846

1,8-naphthalenedimethanol

Structural Information

Molecular Formula

C₁₂H₁₂O₂

SMILES

C1=CC2=C(C(=C1)CO)C(=CC=C2)CO

InChI

InChI=1S/C12H12O2/c13-7-10-5-1-3-9-4-2-6-11(8-14)12(9)10/h1-6,13-14H,7-8H2

InChIKey

DINZUYYYXDLSJE-UHFFFAOYSA-N

Compound name

[8-(hydroxymethyl)naphthalen-1-yl]methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 215
Patents: 188.08372 Da
Monoisotopic Mass: 1.4
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]+	189.09100	138.4
[M+Na]+	211.07294	147.0
[M-H]-	187.07644	140.7
[M+NH4]+	206.11754	158.3
[M+K]+	227.04688	142.9
[M+H-H2O]+	171.08098	133.1
[M+HCOO]-	233.08192	159.4
[M+CH3COO]-	247.09757	179.0
[M+Na-2H]-	209.05839	146.1
[M]+	188.08317	138.2
[M]-	188.08427	138.2

Literature stripe

literature stripe

Patent stripe

patents stripe