CID 91933801

2306270-21-1

Structural Information

Molecular Formula

C₁₁H₁₂FN

SMILES

C1C2(CC1(C2)N)C3=CC=C(C=C3)F

InChI

InChI=1S/C11H12FN/c12-9-3-1-8(2-4-9)10-5-11(13,6-10)7-10/h1-4H,5-7,13H2

InChIKey

WYCLUMAGTSFHTK-UHFFFAOYSA-N

Compound name

3-(4-fluorophenyl)bicyclo[1.1.1]pentan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 177.09538 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]+	178.10266	155.4
[M+Na]+	200.08460	160.8
[M-H]-	176.08810	160.0
[M+NH4]+	195.12920	161.6
[M+K]+	216.05854	164.8
[M+H-H2O]+	160.09264	140.4
[M+HCOO]-	222.09358	168.9
[M+CH3COO]-	236.10923	210.7
[M+Na-2H]-	198.07005	161.7
[M]+	177.09483	177.4
[M]-	177.09593	177.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe