CID 66521395

879488-53-6

Structural Information

Molecular Formula
C10H14BrN3
SMILES
CN1CCN(CC1)C2=CN=C(C=C2)Br
InChI
InChI=1S/C10H14BrN3/c1-13-4-6-14(7-5-13)9-2-3-10(11)12-8-9/h2-3,8H,4-7H2,1H3
InChIKey
VCDWKCPGKQANIF-UHFFFAOYSA-N
Compound name
1-(6-bromo-3-pyridinyl)-4-methylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

255.03711 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.044386 148.7
[M+Na]+ 278.026328 158.9
[M-H]- 254.029834 153.5
[M+NH4]+ 273.070933 165.5
[M+K]+ 294.000268 147.7
[M+H-H2O]+ 238.034370 146.7
[M+HCOO]- 300.035311 164.1
[M+CH3COO]- 314.050961 161.8
[M+Na-2H]- 276.011776 155.6
[M]+ 255.03656142 163.5
[M]- 255.03765858 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