CID 27460

5-ethyl-2,3-dimethylpyrazine

Structural Information

Molecular Formula
C8H12N2
SMILES
CCC1=CN=C(C(=N1)C)C
InChI
InChI=1S/C8H12N2/c1-4-8-5-9-6(2)7(3)10-8/h5H,4H2,1-3H3
InChIKey
CIBKSMZEVHTQLG-UHFFFAOYSA-N
Compound name
5-ethyl-2,3-dimethylpyrazine
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

4
References

391
Patents

136.10005 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.10733 128.1
[M+Na]+ 159.08927 142.7
[M+NH4]+ 154.13387 136.9
[M+K]+ 175.06321 135.7
[M-H]- 135.09277 130.0
[M+Na-2H]- 157.07472 135.9
[M]+ 136.09950 130.8
[M]- 136.10060 130.8
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