CID 3862435

3-(pyrazin-2-yl)benzaldehyde

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: 21
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	137.2
[M+Na]+	207.05288	146.5
[M-H]-	183.05638	141.5
[M+NH4]+	202.09748	154.1
[M+K]+	223.02682	142.7
[M+H-H2O]+	167.06092	128.7
[M+HCOO]-	229.06186	160.4
[M+CH3COO]-	243.07751	150.7
[M+Na-2H]-	205.03833	146.4
[M]+	184.06311	137.3
[M]-	184.06421	137.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe