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-bromo-4-pyridinyl)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]+ 270.060036 153.7
[M+Na]+ 292.041978 162.1
[M-H]- 268.045484 156.6
[M+NH4]+ 287.086583 168.9
[M+K]+ 308.015918 149.8
[M+H-H2O]+ 252.050020 151.5
[M+HCOO]- 314.050961 167.4
[M+CH3COO]- 328.066611 165.3
[M+Na-2H]- 290.027426 160.3
[M]+ 269.05221142 166.7
[M]- 269.05330858 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.