CID 15597455

4-pyrimidin-2-ylbenzyl alcohol

Structural Information

Molecular Formula

C₁₁H₁₀N₂O

SMILES

C1=CN=C(N=C1)C2=CC=C(C=C2)CO

InChI

InChI=1S/C11H10N2O/c14-8-9-2-4-10(5-3-9)11-12-6-1-7-13-11/h1-7,14H,8H2

InChIKey

NUNFHGGALVZZAU-UHFFFAOYSA-N

Compound name

(4-pyrimidin-2-ylphenyl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 66
Patents: 186.07932 Da
Monoisotopic Mass: 1.0
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]+	187.08660	138.9
[M+Na]+	209.06854	147.4
[M-H]-	185.07204	141.7
[M+NH4]+	204.11314	155.0
[M+K]+	225.04248	143.3
[M+H-H2O]+	169.07658	130.6
[M+HCOO]-	231.07752	160.3
[M+CH3COO]-	245.09317	151.5
[M+Na-2H]-	207.05399	147.6
[M]+	186.07877	137.8
[M]-	186.07987	137.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe