CID 50989374

2306274-48-4

Structural Information

Molecular Formula

C₇H₁₀F₃N

SMILES

C1CNCC2C1(C2)C(F)(F)F

InChI

InChI=1S/C7H10F3N/c8-7(9,10)6-1-2-11-4-5(6)3-6/h5,11H,1-4H2

InChIKey

HBGLOVDOAHTLPT-UHFFFAOYSA-N

Compound name

6-(trifluoromethyl)-3-azabicyclo[4.1.0]heptane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 165.07654 Da
Monoisotopic Mass: 1.5
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]+	166.083816	132.5
[M+Na]+	188.065758	141.5
[M-H]-	164.069264	131.1
[M+NH4]+	183.110363	149.0
[M+K]+	204.039698	138.5
[M+H-H2O]+	148.073800	124.8
[M+HCOO]-	210.074741	145.8
[M+CH3COO]-	224.090391	177.6
[M+Na-2H]-	186.051206	140.0
[M]+	165.07599142	126.4
[M]-	165.07708858	126.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe