CID 13624977

5-methylpyrazine-2-carboxaldehyde

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

255
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 120.6
[M+Na]+ 145.03723 130.6
[M-H]- 121.04073 122.0
[M+NH4]+ 140.08183 140.6
[M+K]+ 161.01117 129.2
[M+H-H2O]+ 105.04527 114.0
[M+HCOO]- 167.04621 144.0
[M+CH3COO]- 181.06186 169.9
[M+Na-2H]- 143.02268 129.9
[M]+ 122.04746 121.6
[M]- 122.04856 121.6
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