CID 73994757

8-(trifluoromethyl)-1,4-dioxaspiro[4.5]decan-8-amine

Structural Information

Molecular Formula

C₉H₁₄F₃NO₂

SMILES

C1CC2(CCC1(C(F)(F)F)N)OCCO2

InChI

InChI=1S/C9H14F3NO2/c10-9(11,12)7(13)1-3-8(4-2-7)14-5-6-15-8/h1-6,13H2

InChIKey

TYRJYMGLJBGINF-UHFFFAOYSA-N

Compound name

8-(trifluoromethyl)-1,4-dioxaspiro[4.5]decan-8-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 225.09766 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]+	226.104936	144.3
[M+Na]+	248.086878	150.4
[M-H]-	224.090384	146.2
[M+NH4]+	243.131483	164.9
[M+K]+	264.060818	150.7
[M+H-H2O]+	208.094920	137.8
[M+HCOO]-	270.095861	158.0
[M+CH3COO]-	284.111511	184.7
[M+Na-2H]-	246.072326	150.9
[M]+	225.09711142	135.1
[M]-	225.09820858	135.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.