CID 53485314

1-(5-bromopyridin-3-yl)-4-methylpiperazine

Structural Information

Molecular Formula
C10H14BrN3
SMILES
CN1CCN(CC1)C2=CC(=CN=C2)Br
InChI
InChI=1S/C10H14BrN3/c1-13-2-4-14(5-3-13)10-6-9(11)7-12-8-10/h6-8H,2-5H2,1H3
InChIKey
OJCUHUIYERGNRZ-UHFFFAOYSA-N
Compound name
1-(5-bromopyridin-3-yl)-4-methylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

203
Patents

255.03711 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.04439 148.7
[M+Na]+ 278.02633 158.9
[M-H]- 254.02983 153.5
[M+NH4]+ 273.07093 165.5
[M+K]+ 294.00027 147.7
[M+H-H2O]+ 238.03437 146.7
[M+HCOO]- 300.03531 164.1
[M+CH3COO]- 314.05096 161.8
[M+Na-2H]- 276.01178 155.6
[M]+ 255.03656 163.5
[M]- 255.03766 163.5
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