CID 18548647

328547-42-8

Structural Information

Molecular Formula

C₁₀H₁₀N₂O

SMILES

C1=CC(=CC=C1CO)C2=CN=CN2

InChI

InChI=1S/C10H10N2O/c13-6-8-1-3-9(4-2-8)10-5-11-7-12-10/h1-5,7,13H,6H2,(H,11,12)

InChIKey

HUJGRFDRKQPSRW-UHFFFAOYSA-N

Compound name

[4-(1H-imidazol-5-yl)phenyl]methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 174.07932 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]+	175.08660	135.7
[M+Na]+	197.06854	144.1
[M-H]-	173.07204	137.5
[M+NH4]+	192.11314	153.6
[M+K]+	213.04248	139.8
[M+H-H2O]+	157.07658	128.3
[M+HCOO]-	219.07752	156.9
[M+CH3COO]-	233.09317	148.4
[M+Na-2H]-	195.05399	141.8
[M]+	174.07877	133.3
[M]-	174.07987	133.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe