CID 134987

85386-84-1

Structural Information

Molecular Formula

C₉H₁₂FN₃

SMILES

C1CN(CCN1)C2=C(C=CC=N2)F

InChI

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

InChIKey

HPYRNHPSWLCJKD-UHFFFAOYSA-N

Compound name

1-(3-fluoropyridin-2-yl)piperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 42
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	139.6
[M+Na]+	204.09075	145.8
[M-H]-	180.09425	138.6
[M+NH4]+	199.13535	154.2
[M+K]+	220.06469	141.8
[M+H-H2O]+	164.09879	129.6
[M+HCOO]-	226.09973	154.6
[M+CH3COO]-	240.11538	150.0
[M+Na-2H]-	202.07620	145.4
[M]+	181.10098	131.5
[M]-	181.10208	131.5

Literature stripe

literature stripe

Patent stripe

patents stripe