CID 45787628

2-bromo-5-ethylpyrazine

Structural Information

Molecular Formula
C6H7BrN2
SMILES
CCC1=CN=C(C=N1)Br
InChI
InChI=1S/C6H7BrN2/c1-2-5-3-9-6(7)4-8-5/h3-4H,2H2,1H3
InChIKey
CCDAQGHBTWYAMF-UHFFFAOYSA-N
Compound name
2-bromo-5-ethylpyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

185.97926 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.98654 126.9
[M+Na]+ 208.96848 139.8
[M-H]- 184.97198 131.0
[M+NH4]+ 204.01308 148.1
[M+K]+ 224.94242 129.5
[M+H-H2O]+ 168.97652 126.7
[M+HCOO]- 230.97746 147.6
[M+CH3COO]- 244.99311 179.7
[M+Na-2H]- 206.95393 137.4
[M]+ 185.97871 145.9
[M]- 185.97981 145.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe