CID 28518

2-ethyl-3,5,6-trimethylpyrazine

Structural Information

Molecular Formula
C9H14N2
SMILES
CCC1=NC(=C(N=C1C)C)C
InChI
InChI=1S/C9H14N2/c1-5-9-8(4)10-6(2)7(3)11-9/h5H2,1-4H3
InChIKey
FPOLJKZKOKXIFE-UHFFFAOYSA-N
Compound name
2-ethyl-3,5,6-trimethylpyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

477
Patents

150.11569 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.122966 131.6
[M+Na]+ 173.104908 142.1
[M-H]- 149.108414 133.4
[M+NH4]+ 168.149513 151.3
[M+K]+ 189.078848 140.0
[M+H-H2O]+ 133.112950 125.1
[M+HCOO]- 195.113891 153.6
[M+CH3COO]- 209.129541 180.2
[M+Na-2H]- 171.090356 138.0
[M]+ 150.11514142 133.8
[M]- 150.11623858 133.8
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