CID 11274980

Pyrazine-2-carbaldehyde

Structural Information

Molecular Formula
C5H4N2O
SMILES
C1=CN=C(C=N1)C=O
InChI
InChI=1S/C5H4N2O/c8-4-5-3-6-1-2-7-5/h1-4H
InChIKey
DXBWJLDFSICTIH-UHFFFAOYSA-N
Compound name
pyrazine-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

5097
Patents

108.032364 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 109.03964 116.3
[M+Na]+ 131.02158 125.8
[M-H]- 107.02509 117.5
[M+NH4]+ 126.06619 136.5
[M+K]+ 146.99552 124.6
[M+H-H2O]+ 91.029624 109.6
[M+HCOO]- 153.03056 140.0
[M+CH3COO]- 167.04622 165.8
[M+Na-2H]- 129.00703 126.9
[M]+ 108.03182 116.5
[M]- 108.03291 116.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe