CID 13624977

5-methylpyrazine-2-carbaldehyde

Structural Information

Molecular Formula
C6H6N2O
SMILES
CC1=CN=C(C=N1)C=O
InChI
InChI=1S/C6H6N2O/c1-5-2-8-6(4-9)3-7-5/h2-4H,1H3
InChIKey
JUPFEWGPEBACJP-UHFFFAOYSA-N
Compound name
5-methylpyrazine-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

241
Patents

122.04801 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 123.05529 121.9
[M+Na]+ 145.03723 136.0
[M+NH4]+ 140.08183 130.1
[M+K]+ 161.01117 129.7
[M-H]- 121.04073 123.0
[M+Na-2H]- 143.02268 129.8
[M]+ 122.04746 124.1
[M]- 122.04856 124.1
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

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