CID 58348408

2-(2-bromoethyl)pyrazine

Structural Information

Molecular Formula
C6H7BrN2
SMILES
C1=CN=C(C=N1)CCBr
InChI
InChI=1S/C6H7BrN2/c7-2-1-6-5-8-3-4-9-6/h3-5H,1-2H2
InChIKey
BNEWGWOTWZOZNU-UHFFFAOYSA-N
Compound name
2-(2-bromoethyl)pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

185.97926 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.98654 127.2
[M+Na]+ 208.96848 139.2
[M-H]- 184.97198 131.0
[M+NH4]+ 204.01308 148.1
[M+K]+ 224.94242 128.9
[M+H-H2O]+ 168.97652 126.8
[M+HCOO]- 230.97746 147.9
[M+CH3COO]- 244.99311 178.7
[M+Na-2H]- 206.95393 138.4
[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