CID 20110057

886365-90-8

Structural Information

Molecular Formula

C₁₀H₁₂FN

SMILES

C1CC1(CN)C2=CC(=CC=C2)F

InChI

InChI=1S/C10H12FN/c11-9-3-1-2-8(6-9)10(7-12)4-5-10/h1-3,6H,4-5,7,12H2

InChIKey

TYUDIEAIIITGJG-UHFFFAOYSA-N

Compound name

[1-(3-fluorophenyl)cyclopropyl]methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21
Patents: 165.09538 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]+	166.102656	129.7
[M+Na]+	188.084598	139.4
[M-H]-	164.088104	136.0
[M+NH4]+	183.129203	147.0
[M+K]+	204.058538	136.6
[M+H-H2O]+	148.092640	123.3
[M+HCOO]-	210.093581	153.6
[M+CH3COO]-	224.109231	183.7
[M+Na-2H]-	186.070046	137.2
[M]+	165.09483142	129.2
[M]-	165.09592858	129.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe