CID 19777270

2-(fluoromethyl)-1-methylpiperazine dihydrochloride

Structural Information

Molecular Formula

C₆H₁₃FN₂

SMILES

CN1CCNCC1CF

InChI

InChI=1S/C6H13FN2/c1-9-3-2-8-5-6(9)4-7/h6,8H,2-5H2,1H3

InChIKey

FNZZDRCKDGOFLN-UHFFFAOYSA-N

Compound name

2-(fluoromethyl)-1-methylpiperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 73
Patents: 132.10628 Da
Monoisotopic Mass: 0.0
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]+	133.11356	128.7
[M+Na]+	155.09550	134.8
[M-H]-	131.09900	126.1
[M+NH4]+	150.14010	147.2
[M+K]+	171.06944	132.9
[M+H-H2O]+	115.10354	121.2
[M+HCOO]-	177.10448	144.6
[M+CH3COO]-	191.12013	169.9
[M+Na-2H]-	153.08095	133.6
[M]+	132.10573	121.5
[M]-	132.10683	121.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe