CID 45096719

2-bromo-3,5,6-trimethylpyrazine

Structural Information

Molecular Formula
C7H9BrN2
SMILES
CC1=C(N=C(C(=N1)C)Br)C
InChI
InChI=1S/C7H9BrN2/c1-4-5(2)10-7(8)6(3)9-4/h1-3H3
InChIKey
IZTFFZNKCNYYNZ-UHFFFAOYSA-N
Compound name
2-bromo-3,5,6-trimethylpyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.9949 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.00218 134.1
[M+Na]+ 222.98412 139.4
[M+NH4]+ 218.02872 139.2
[M+K]+ 238.95806 138.9
[M-H]- 198.98762 134.5
[M+Na-2H]- 220.96957 138.4
[M]+ 199.99435 133.9
[M]- 199.99545 133.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No patent data available for this compound.