CID 67127241

1009314-88-8

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: 174
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]+	154.086256	130.7
[M+Na]+	176.068198	138.7
[M-H]-	152.071704	131.8
[M+NH4]+	171.112803	150.3
[M+K]+	192.042138	135.8
[M+H-H2O]+	136.076240	125.6
[M+HCOO]-	198.077181	153.4
[M+CH3COO]-	212.092831	173.7
[M+Na-2H]-	174.053646	136.2
[M]+	153.07843142	128.4
[M]-	153.07952858	128.4

Literature stripe

literature stripe

Patent stripe

patents stripe