CID 71128704

1-(5-bromopyridin-3-yl)-4-ethylpiperazine dihydrochloride

Structural Information

Molecular Formula
C11H16BrN3
SMILES
CCN1CCN(CC1)C2=CC(=CN=C2)Br
InChI
InChI=1S/C11H16BrN3/c1-2-14-3-5-15(6-4-14)11-7-10(12)8-13-9-11/h7-9H,2-6H2,1H3
InChIKey
CXNZVLGFWCYOBZ-UHFFFAOYSA-N
Compound name
1-(5-bromopyridin-3-yl)-4-ethylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

269.05276 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.06004 153.1
[M+Na]+ 292.04198 162.9
[M-H]- 268.04548 157.7
[M+NH4]+ 287.08658 169.4
[M+K]+ 308.01592 151.5
[M+H-H2O]+ 252.05002 150.9
[M+HCOO]- 314.05096 168.2
[M+CH3COO]- 328.06661 165.8
[M+Na-2H]- 290.02743 159.5
[M]+ 269.05221 168.2
[M]- 269.05331 168.2
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