CID 83854051

2137136-14-0

Structural Information

Molecular Formula

C₁₁H₁₄FN

SMILES

C1C(CC1(CN)C2=CC=CC=C2)F

InChI

InChI=1S/C11H14FN/c12-10-6-11(7-10,8-13)9-4-2-1-3-5-9/h1-5,10H,6-8,13H2

InChIKey

LOCFLTYDPJCCHI-UHFFFAOYSA-N

Compound name

(3-fluoro-1-phenylcyclobutyl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 179.11102 Da
Monoisotopic Mass: 1.9
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]+	180.118296	138.3
[M+Na]+	202.100238	144.6
[M-H]-	178.103744	143.4
[M+NH4]+	197.144843	153.4
[M+K]+	218.074178	144.5
[M+H-H2O]+	162.108280	126.9
[M+HCOO]-	224.109221	159.9
[M+CH3COO]-	238.124871	186.3
[M+Na-2H]-	200.085686	144.0
[M]+	179.11047142	142.7
[M]-	179.11156858	142.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.