CID 3862435

3-pyrazin-2-ylbenzaldehyde

Structural Information

Molecular Formula

C₁₁H₈N₂O

SMILES

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

InChI

InChI=1S/C11H8N2O/c14-8-9-2-1-3-10(6-9)11-7-12-4-5-13-11/h1-8H

InChIKey

CLHDOSZCXSKSSD-UHFFFAOYSA-N

Compound name

3-pyrazin-2-ylbenzaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 20
Patents: 184.06366 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]+	185.07094	138.3
[M+Na]+	207.05288	154.4
[M+NH4]+	202.09748	146.9
[M+K]+	223.02682	146.4
[M-H]-	183.05638	142.1
[M+Na-2H]-	205.03833	149.2
[M]+	184.06311	141.7
[M]-	184.06421	141.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe