CID 487835

60509-33-3

Structural Information

Molecular Formula

C₁₁H₁₆FN

SMILES

CCCCNCC1=CC=CC=C1F

InChI

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

InChIKey

WSMSXSDYRRSIRN-UHFFFAOYSA-N

Compound name

N-[(2-fluorophenyl)methyl]butan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 181.12668 Da
Monoisotopic Mass: 2.8
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]+	182.133956	139.4
[M+Na]+	204.115898	146.0
[M-H]-	180.119404	141.4
[M+NH4]+	199.160503	159.3
[M+K]+	220.089838	143.2
[M+H-H2O]+	164.123940	132.3
[M+HCOO]-	226.124881	163.2
[M+CH3COO]-	240.140531	186.1
[M+Na-2H]-	202.101346	145.5
[M]+	181.12613142	138.5
[M]-	181.12722858	138.5

Literature stripe

literature stripe

Patent stripe

patents stripe