CID 62674056

2-methyl-1-(2,2,2-trifluoroethyl)piperazine hydrochloride

Structural Information

Molecular Formula

C₇H₁₃F₃N₂

SMILES

CC1CNCCN1CC(F)(F)F

InChI

InChI=1S/C7H13F3N2/c1-6-4-11-2-3-12(6)5-7(8,9)10/h6,11H,2-5H2,1H3

InChIKey

AXHYUDJJXOMEOH-UHFFFAOYSA-N

Compound name

2-methyl-1-(2,2,2-trifluoroethyl)piperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 182.10309 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]+	183.110366	139.1
[M+Na]+	205.092308	145.5
[M-H]-	181.095814	134.0
[M+NH4]+	200.136913	155.7
[M+K]+	221.066248	142.7
[M+H-H2O]+	165.100350	130.1
[M+HCOO]-	227.101291	151.0
[M+CH3COO]-	241.116941	178.2
[M+Na-2H]-	203.077756	142.9
[M]+	182.10254142	129.3
[M]-	182.10363858	129.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe