CID 22631039

545421-49-6

Structural Information

Molecular Formula

C₁₁H₁₀N₂O

SMILES

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

InChI

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

InChIKey

IKWXAZOUOQJQOH-UHFFFAOYSA-N

Compound name

(4-pyrazin-2-ylphenyl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 23
Patents: 186.07932 Da
Monoisotopic Mass: 0.6
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	139.7
[M+Na]+	209.06854	155.2
[M+NH4]+	204.11314	148.2
[M+K]+	225.04248	147.6
[M-H]-	185.07204	143.2
[M+Na-2H]-	207.05399	150.0
[M]+	186.07877	143.0
[M]-	186.07987	143.0

Literature stripe

literature stripe

Patent stripe

patents stripe