CID 84712711

1-[2-(3-bromopyridin-4-yl)ethyl]piperazine

Structural Information

Molecular Formula
C11H16BrN3
SMILES
C1CN(CCN1)CCC2=C(C=NC=C2)Br
InChI
InChI=1S/C11H16BrN3/c12-11-9-14-3-1-10(11)2-6-15-7-4-13-5-8-15/h1,3,9,13H,2,4-8H2
InChIKey
JPZLWPIWRPHQFL-UHFFFAOYSA-N
Compound name
1-[2-(3-bromopyridin-4-yl)ethyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.05276 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.06004 153.7
[M+Na]+ 292.04198 162.1
[M-H]- 268.04548 156.6
[M+NH4]+ 287.08658 168.9
[M+K]+ 308.01592 149.8
[M+H-H2O]+ 252.05002 151.5
[M+HCOO]- 314.05096 167.4
[M+CH3COO]- 328.06661 165.3
[M+Na-2H]- 290.02743 160.3
[M]+ 269.05221 166.7
[M]- 269.05331 166.7
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

No patent data available for this compound.