CID 67127241

(4-amino-1,3-phenylene)dimethanol

Structural Information

Molecular Formula

C₈H₁₁NO₂

SMILES

C1=CC(=C(C=C1CO)CO)N

InChI

InChI=1S/C8H11NO2/c9-8-2-1-6(4-10)3-7(8)5-11/h1-3,10-11H,4-5,9H2

InChIKey

ZYJKONDZYOWOHE-UHFFFAOYSA-N

Compound name

[4-amino-3-(hydroxymethyl)phenyl]methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 217
Patents: 153.07898 Da
Monoisotopic Mass: 0.0
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]+	154.08626	130.4
[M+Na]+	176.06820	141.7
[M+NH4]+	171.11280	138.3
[M+K]+	192.04214	136.6
[M-H]-	152.07170	132.0
[M+Na-2H]-	174.05365	136.1
[M]+	153.07843	132.2
[M]-	153.07953	132.2

Literature stripe

literature stripe

Patent stripe

patents stripe