CID 15536753

1,4-naphthalenedimethanol

Structural Information

Molecular Formula

C₁₂H₁₂O₂

SMILES

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

InChI

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

InChIKey

JAKLGXVFNYYOSU-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 181
Patents: 188.08372 Da
Monoisotopic Mass: 1.9
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	138.4
[M+Na]+	211.072938	147.0
[M-H]-	187.076444	140.7
[M+NH4]+	206.117543	158.3
[M+K]+	227.046878	142.9
[M+H-H2O]+	171.080980	133.1
[M+HCOO]-	233.081921	159.4
[M+CH3COO]-	247.097571	179.0
[M+Na-2H]-	209.058386	146.1
[M]+	188.08317142	138.2
[M]-	188.08426858	138.2

Literature stripe

literature stripe

Patent stripe

patents stripe