CID 43556400

1-trifluoromethanesulfonylpiperidin-4-amine

Structural Information

Molecular Formula

C₆H₁₁F₃N₂O₂S

SMILES

C1CN(CCC1N)S(=O)(=O)C(F)(F)F

InChI

InChI=1S/C6H11F3N2O2S/c7-6(8,9)14(12,13)11-3-1-5(10)2-4-11/h5H,1-4,10H2

InChIKey

STUGVNMGOOCBQQ-UHFFFAOYSA-N

Compound name

1-(trifluoromethylsulfonyl)piperidin-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 29
Patents: 232.04933 Da
Monoisotopic Mass: 0.3
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]+	233.056606	143.8
[M+Na]+	255.038548	150.6
[M-H]-	231.042054	141.1
[M+NH4]+	250.083153	160.0
[M+K]+	271.012488	147.9
[M+H-H2O]+	215.046590	135.5
[M+HCOO]-	277.047531	153.2
[M+CH3COO]-	291.063181	186.0
[M+Na-2H]-	253.023996	146.0
[M]+	232.04878142	136.4
[M]-	232.04987858	136.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe