CID 17879170

23194-79-8

Structural Information

Molecular Formula

C₁₀H₁₄FN

SMILES

CCC(CC1=CC=C(C=C1)F)N

InChI

InChI=1S/C10H14FN/c1-2-10(12)7-8-3-5-9(11)6-4-8/h3-6,10H,2,7,12H2,1H3

InChIKey

ZMIKPURLVPIOCM-UHFFFAOYSA-N

Compound name

1-(4-fluorophenyl)butan-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2
Patents: 167.11102 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]+	168.118296	135.9
[M+Na]+	190.100238	142.8
[M-H]-	166.103744	137.7
[M+NH4]+	185.144843	156.1
[M+K]+	206.074178	140.3
[M+H-H2O]+	150.108280	129.2
[M+HCOO]-	212.109221	158.5
[M+CH3COO]-	226.124871	183.2
[M+Na-2H]-	188.085686	140.3
[M]+	167.11047142	133.0
[M]-	167.11156858	133.0

Literature stripe

literature stripe

Patent stripe

patents stripe