CID 71604170

1-(6-fluoropyridin-3-yl)piperazine dihydrochloride

Structural Information

Molecular Formula

C₉H₁₂FN₃

SMILES

C1CN(CCN1)C2=CN=C(C=C2)F

InChI

InChI=1S/C9H12FN3/c10-9-2-1-8(7-12-9)13-5-3-11-4-6-13/h1-2,7,11H,3-6H2

InChIKey

QIYKCTPMBPDDIK-UHFFFAOYSA-N

Compound name

1-(6-fluoropyridin-3-yl)piperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 22
Patents: 181.10153 Da
Monoisotopic Mass: 0.8
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]+	182.10881	140.3
[M+Na]+	204.09075	152.6
[M+NH4]+	199.13535	147.9
[M+K]+	220.06469	145.8
[M-H]-	180.09425	141.3
[M+Na-2H]-	202.07620	147.5
[M]+	181.10098	142.1
[M]-	181.10208	142.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe