CID 53420748

(4-amino-3-methoxyphenyl)methanol

Structural Information

Molecular Formula

C₈H₁₁NO₂

SMILES

COC1=C(C=CC(=C1)CO)N

InChI

InChI=1S/C8H11NO2/c1-11-8-4-6(5-10)2-3-7(8)9/h2-4,10H,5,9H2,1H3

InChIKey

RVYSKGNWKIIUIF-UHFFFAOYSA-N

Compound name

(4-amino-3-methoxyphenyl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 63
Patents: 153.07898 Da
Monoisotopic Mass: 0.5
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	130.0
[M+Na]+	176.06820	141.9
[M+NH4]+	171.11280	138.3
[M+K]+	192.04214	136.5
[M-H]-	152.07170	132.1
[M+Na-2H]-	174.05365	136.4
[M]+	153.07843	132.2
[M]-	153.07953	132.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe