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-bromo-3-pyridinyl)-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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	270.060036	153.1
[M+Na]+	292.041978	162.9
[M-H]-	268.045484	157.7
[M+NH4]+	287.086583	169.4
[M+K]+	308.015918	151.5
[M+H-H2O]+	252.050020	150.9
[M+HCOO]-	314.050961	168.2
[M+CH3COO]-	328.066611	165.8
[M+Na-2H]-	290.027426	159.5
[M]+	269.05221142	168.2
[M]-	269.05330858	168.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe