CID 3049033

N-methyl-3-(m-trifluoromethylphenyl)piperidine hydrochloride

Structural Information

Molecular Formula

C₁₃H₁₆F₃N

SMILES

CN1CCCC(C1)C2=CC(=CC=C2)C(F)(F)F

InChI

InChI=1S/C13H16F3N/c1-17-7-3-5-11(9-17)10-4-2-6-12(8-10)13(14,15)16/h2,4,6,8,11H,3,5,7,9H2,1H3

InChIKey

SIYWTPMDRMFZJQ-UHFFFAOYSA-N

Compound name

1-methyl-3-[3-(trifluoromethyl)phenyl]piperidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 243.12349 Da
Monoisotopic Mass: 3.4
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]+	244.130766	153.7
[M+Na]+	266.112708	160.3
[M-H]-	242.116214	154.5
[M+NH4]+	261.157313	169.7
[M+K]+	282.086648	156.1
[M+H-H2O]+	226.120750	143.6
[M+HCOO]-	288.121691	167.9
[M+CH3COO]-	302.137341	192.9
[M+Na-2H]-	264.098156	156.6
[M]+	243.12294142	145.4
[M]-	243.12403858	145.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe