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

2
Patents

199.9949 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.002176 130.5
[M+Na]+ 222.984118 144.8
[M-H]- 198.987624 135.3
[M+NH4]+ 218.028723 151.8
[M+K]+ 238.958058 134.1
[M+H-H2O]+ 182.992160 130.5
[M+HCOO]- 244.993101 150.9
[M+CH3COO]- 259.008751 184.6
[M+Na-2H]- 220.969566 139.1
[M]+ 199.99435142 150.6
[M]- 199.99544858 150.6
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