CID 69935390

2408964-70-3

Structural Information

Molecular Formula

C₆H₁₁F₃N₂

SMILES

CN1CCNCC1C(F)(F)F

InChI

InChI=1S/C6H11F3N2/c1-11-3-2-10-4-5(11)6(7,8)9/h5,10H,2-4H2,1H3

InChIKey

IMDMQCDCHLUNHO-UHFFFAOYSA-N

Compound name

1-methyl-2-(trifluoromethyl)piperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 27
Patents: 168.08743 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]+	169.09471	134.6
[M+Na]+	191.07665	141.3
[M-H]-	167.08015	129.6
[M+NH4]+	186.12125	151.7
[M+K]+	207.05059	138.9
[M+H-H2O]+	151.08469	125.8
[M+HCOO]-	213.08563	146.8
[M+CH3COO]-	227.10128	175.2
[M+Na-2H]-	189.06210	138.9
[M]+	168.08688	124.4
[M]-	168.08798	124.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe