CID 215978

36914-69-9

Structural Information

Molecular Formula

C₁₂H₁₂N₂O

SMILES

C1=CC=C(C=C1)C(CC2=NC=CN=C2)O

InChI

InChI=1S/C12H12N2O/c15-12(10-4-2-1-3-5-10)8-11-9-13-6-7-14-11/h1-7,9,12,15H,8H2

InChIKey

GCLRAFFYSKHBNT-UHFFFAOYSA-N

Compound name

1-phenyl-2-pyrazin-2-ylethanol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 25
Patents: 200.09496 Da
Monoisotopic Mass: 0.9
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]+	201.10224	143.5
[M+Na]+	223.08418	150.2
[M-H]-	199.08768	145.8
[M+NH4]+	218.12878	158.7
[M+K]+	239.05812	146.4
[M+H-H2O]+	183.09222	134.9
[M+HCOO]-	245.09316	163.6
[M+CH3COO]-	259.10881	155.2
[M+Na-2H]-	221.06963	151.2
[M]+	200.09441	141.7
[M]-	200.09551	141.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe