CID 62478380

1-(5-fluoropyridin-2-yl)-3-methylpiperazine

Structural Information

Molecular Formula

C₁₀H₁₄FN₃

SMILES

CC1CN(CCN1)C2=NC=C(C=C2)F

InChI

InChI=1S/C10H14FN3/c1-8-7-14(5-4-12-8)10-3-2-9(11)6-13-10/h2-3,6,8,12H,4-5,7H2,1H3

InChIKey

LLWNNOFESZDJJZ-UHFFFAOYSA-N

Compound name

1-(5-fluoro-2-pyridinyl)-3-methylpiperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 195.11717 Da
Monoisotopic Mass: 1.2
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]+	196.124446	144.5
[M+Na]+	218.106388	151.3
[M-H]-	194.109894	143.8
[M+NH4]+	213.150993	158.9
[M+K]+	234.080328	147.0
[M+H-H2O]+	178.114430	134.6
[M+HCOO]-	240.115371	159.2
[M+CH3COO]-	254.131021	154.9
[M+Na-2H]-	216.091836	149.0
[M]+	195.11662142	137.2
[M]-	195.11771858	137.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe