CID 457581

60509-34-4

Structural Information

Molecular Formula

C₁₁H₁₆FN

SMILES

CCCCNCC1=CC(=CC=C1)F

InChI

InChI=1S/C11H16FN/c1-2-3-7-13-9-10-5-4-6-11(12)8-10/h4-6,8,13H,2-3,7,9H2,1H3

InChIKey

CDZXTUXULNFHSG-UHFFFAOYSA-N

Compound name

N-[(3-fluorophenyl)methyl]butan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 181.12668 Da
Monoisotopic Mass: 3.0
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]+	182.13396	139.4
[M+Na]+	204.11590	146.0
[M-H]-	180.11940	141.4
[M+NH4]+	199.16050	159.3
[M+K]+	220.08984	143.2
[M+H-H2O]+	164.12394	132.3
[M+HCOO]-	226.12488	163.2
[M+CH3COO]-	240.14053	186.1
[M+Na-2H]-	202.10135	145.5
[M]+	181.12613	138.5
[M]-	181.12723	138.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.