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

25
Patents

185.97926 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.986536 127.2
[M+Na]+ 208.968478 139.2
[M-H]- 184.971984 131.0
[M+NH4]+ 204.013083 148.1
[M+K]+ 224.942418 128.9
[M+H-H2O]+ 168.976520 126.8
[M+HCOO]- 230.977461 147.9
[M+CH3COO]- 244.993111 178.7
[M+Na-2H]- 206.953926 138.4
[M]+ 185.97871142 145.9
[M]- 185.97980858 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