CID 124508979

1807941-58-7

Structural Information

Molecular Formula

C₈H₁₄F₃N

SMILES

CN[C@@H]1CCCC[C@@H]1C(F)(F)F

InChI

InChI=1S/C8H14F3N/c1-12-7-5-3-2-4-6(7)8(9,10)11/h6-7,12H,2-5H2,1H3/t6-,7+/m0/s1

InChIKey

KFIUESOKROCZNL-NKWVEPMBSA-N

Compound name

cis-(1R,2S)-N-methyl-2-(trifluoromethyl)cyclohexan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 181.10783 Da
Monoisotopic Mass: 2.6
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]+	182.115106	137.0
[M+Na]+	204.097048	142.5
[M-H]-	180.100554	136.0
[M+NH4]+	199.141653	156.7
[M+K]+	220.070988	140.6
[M+H-H2O]+	164.105090	129.2
[M+HCOO]-	226.106031	153.7
[M+CH3COO]-	240.121681	183.3
[M+Na-2H]-	202.082496	141.1
[M]+	181.10728142	127.6
[M]-	181.10837858	127.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.