CID 82601558

2361643-96-9

Structural Information

Molecular Formula

C₇H₁₂F₃NO

SMILES

C1COCCC1(CN)C(F)(F)F

InChI

InChI=1S/C7H12F3NO/c8-7(9,10)6(5-11)1-3-12-4-2-6/h1-5,11H2

InChIKey

DNODNUIZGZZGLQ-UHFFFAOYSA-N

Compound name

[4-(trifluoromethyl)oxan-4-yl]methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
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	142.3
[M+Na]+	206.07632	148.8
[M+NH4]+	201.12092	149.4
[M+K]+	222.05026	143.0
[M-H]-	182.07982	140.5
[M+Na-2H]-	204.06177	145.8
[M]+	183.08655	142.5
[M]-	183.08765	142.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.