CID 16414227

1-(5-bromopyridin-2-yl)piperazine

Structural Information

Molecular Formula
C9H12BrN3
SMILES
C1CN(CCN1)C2=NC=C(C=C2)Br
InChI
InChI=1S/C9H12BrN3/c10-8-1-2-9(12-7-8)13-5-3-11-4-6-13/h1-2,7,11H,3-6H2
InChIKey
UBJBNGGYLBVCJF-UHFFFAOYSA-N
Compound name
1-(5-bromopyridin-2-yl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

289
Patents

241.02145 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.02873 144.9
[M+Na]+ 264.01067 154.2
[M-H]- 240.01417 148.2
[M+NH4]+ 259.05527 161.3
[M+K]+ 279.98461 142.4
[M+H-H2O]+ 224.01871 143.2
[M+HCOO]- 286.01965 159.3
[M+CH3COO]- 300.03530 157.4
[M+Na-2H]- 261.99612 152.6
[M]+ 241.02090 157.3
[M]- 241.02200 157.3
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