CID 86344239

Fluoroethylnormemantine

Structural Information

Molecular Formula

C₁₂H₂₀FN

SMILES

C1C2CC3(CC1CC(C2)(C3)N)CCF

InChI

InChI=1S/C12H20FN/c13-2-1-11-4-9-3-10(5-11)7-12(14,6-9)8-11/h9-10H,1-8,14H2

InChIKey

HUYVZSFADWYSHD-UHFFFAOYSA-N

Compound name

3-(2-fluoroethyl)adamantan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 32
Patents: 197.15797 Da
Monoisotopic Mass: 3.2
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]+	198.16525	148.5
[M+Na]+	220.14719	151.7
[M-H]-	196.15069	142.4
[M+NH4]+	215.19179	176.1
[M+K]+	236.12113	147.4
[M+H-H2O]+	180.15523	141.2
[M+HCOO]-	242.15617	155.2
[M+CH3COO]-	256.17182	157.0
[M+Na-2H]-	218.13264	159.1
[M]+	197.15742	145.5
[M]-	197.15852	145.5

Literature stripe

literature stripe

Patent stripe

patents stripe