CID 165881954

2839128-62-8

Structural Information

Molecular Formula

C₈H₁₃F₂N

SMILES

C[C@H]1CC2(CC(C2)(F)F)CN1

InChI

InChI=1S/C8H13F2N/c1-6-2-7(5-11-6)3-8(9,10)4-7/h6,11H,2-5H2,1H3/t6-/m0/s1

InChIKey

HLWFENFUABDSSZ-LURJTMIESA-N

Compound name

(7S)-2,2-difluoro-7-methyl-6-azaspiro[3.4]octane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 161.10161 Da
Monoisotopic Mass: 1.6
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]+	162.108886	131.9
[M+Na]+	184.090828	139.2
[M-H]-	160.094334	132.9
[M+NH4]+	179.135433	150.4
[M+K]+	200.064768	138.9
[M+H-H2O]+	144.098870	122.2
[M+HCOO]-	206.099811	148.2
[M+CH3COO]-	220.115461	177.2
[M+Na-2H]-	182.076276	136.3
[M]+	161.10106142	133.4
[M]-	161.10215858	133.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.