CID 26370304

2-bromo-6-methylpyrazine

Structural Information

Molecular Formula
C5H5BrN2
SMILES
CC1=CN=CC(=N1)Br
InChI
InChI=1S/C5H5BrN2/c1-4-2-7-3-5(6)8-4/h2-3H,1H3
InChIKey
YEFFNSANFKOYSF-UHFFFAOYSA-N
Compound name
2-bromo-6-methylpyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

321
Patents

171.96361 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.97089 122.3
[M+Na]+ 194.95283 135.6
[M-H]- 170.95633 126.6
[M+NH4]+ 189.99743 144.0
[M+K]+ 210.92677 125.5
[M+H-H2O]+ 154.96087 122.3
[M+HCOO]- 216.96181 143.3
[M+CH3COO]- 230.97746 176.8
[M+Na-2H]- 192.93828 133.3
[M]+ 171.96306 140.9
[M]- 171.96416 140.9
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