CID 53755655

2287281-09-6

Structural Information

Molecular Formula

C₁₂H₂₀FN

SMILES

CC12CC3(CC(C1)(CC(C2)(C3)F)N)C

InChI

InChI=1S/C12H20FN/c1-9-3-10(2)5-11(13,4-9)8-12(14,6-9)7-10/h3-8,14H2,1-2H3

InChIKey

DEGKLCGLBWKDNP-UHFFFAOYSA-N

Compound name

3-fluoro-5,7-dimethyladamantan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 197.15797 Da
Monoisotopic Mass: 2.4
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	150.4
[M+Na]+	220.14719	156.2
[M-H]-	196.15069	145.1
[M+NH4]+	215.19179	181.6
[M+K]+	236.12113	151.5
[M+H-H2O]+	180.15523	142.5
[M+HCOO]-	242.15617	156.8
[M+CH3COO]-	256.17182	159.6
[M+Na-2H]-	218.13264	162.3
[M]+	197.15742	148.4
[M]-	197.15852	148.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe