CID 3059780

N-(alpha,4-dihydroxyphenethyl)imidazole hydrochloride

Structural Information

Molecular Formula

C₁₁H₁₂N₂O₂

SMILES

C1=CC(=CC=C1C(CN2C=CN=C2)O)O

InChI

InChI=1S/C11H12N2O2/c14-10-3-1-9(2-4-10)11(15)7-13-6-5-12-8-13/h1-6,8,11,14-15H,7H2

InChIKey

YUGKGJUVLVOHGK-UHFFFAOYSA-N

Compound name

4-(1-hydroxy-2-imidazol-1-ylethyl)phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2
Patents: 204.08987 Da
Monoisotopic Mass: 0.8
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]+	205.097146	143.7
[M+Na]+	227.079088	151.2
[M-H]-	203.082594	145.4
[M+NH4]+	222.123693	160.2
[M+K]+	243.053028	147.7
[M+H-H2O]+	187.087130	136.0
[M+HCOO]-	249.088071	163.7
[M+CH3COO]-	263.103721	179.2
[M+Na-2H]-	225.064536	148.0
[M]+	204.08932142	142.4
[M]-	204.09041858	142.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe