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
6
Annotation Hits

4
References

3345
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 123.2
[M+Na]+ 145.07362 132.6
[M-H]- 121.07712 124.5
[M+NH4]+ 140.11822 143.4
[M+K]+ 161.04756 131.1
[M+H-H2O]+ 105.08166 116.5
[M+HCOO]- 167.08260 145.9
[M+CH3COO]- 181.09825 171.9
[M+Na-2H]- 143.05907 132.1
[M]+ 122.08385 123.9
[M]- 122.08495 123.9
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