CID 52420939

1820746-53-9

Structural Information

Molecular Formula

C₇H₁₂F₃NO

SMILES

C1C[C@@H](C[C@](C1)(C(F)(F)F)O)N

InChI

InChI=1S/C7H12F3NO/c8-7(9,10)6(12)3-1-2-5(11)4-6/h5,12H,1-4,11H2/t5-,6+/m0/s1

InChIKey

IJUVZQHBPFIBHU-NTSWFWBYSA-N

Compound name

(1R,3S)-3-amino-1-(trifluoromethyl)cyclohexan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 183.0871 Da
Monoisotopic Mass: 0.9
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]+	184.09438	136.1
[M+Na]+	206.07632	142.5
[M-H]-	182.07982	133.7
[M+NH4]+	201.12092	156.7
[M+K]+	222.05026	140.3
[M+H-H2O]+	166.08436	129.6
[M+HCOO]-	228.08530	151.3
[M+CH3COO]-	242.10095	178.6
[M+Na-2H]-	204.06177	140.5
[M]+	183.08655	125.2
[M]-	183.08765	125.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe