CID 27457

2-ethyl-3-methylpyrazine

Structural Information

Molecular Formula
C7H10N2
SMILES
CCC1=NC=CN=C1C
InChI
InChI=1S/C7H10N2/c1-3-7-6(2)8-4-5-9-7/h4-5H,3H2,1-2H3
InChIKey
LNIMMWYNSBZESE-UHFFFAOYSA-N
Compound name
2-ethyl-3-methylpyrazine
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

4
References

3227
Patents

122.0844 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 123.09168 123.8
[M+Na]+ 145.07362 138.1
[M+NH4]+ 140.11822 132.7
[M+K]+ 161.04756 131.1
[M-H]- 121.07712 125.6
[M+Na-2H]- 143.05907 132.1
[M]+ 122.08385 126.4
[M]- 122.08495 126.4
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