CID 4716573

741698-80-6

Structural Information

Molecular Formula

C₁₀H₁₄FN

SMILES

CCCNCC1=CC=C(C=C1)F

InChI

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

InChIKey

QXJDUPVWQCCQKO-UHFFFAOYSA-N

Compound name

N-[(4-fluorophenyl)methyl]propan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 33
Patents: 167.11102 Da
Monoisotopic Mass: 2.3
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]+	168.11830	134.7
[M+Na]+	190.10024	141.8
[M-H]-	166.10374	136.9
[M+NH4]+	185.14484	155.2
[M+K]+	206.07418	139.2
[M+H-H2O]+	150.10828	127.9
[M+HCOO]-	212.10922	158.9
[M+CH3COO]-	226.12487	183.1
[M+Na-2H]-	188.08569	141.4
[M]+	167.11047	133.5
[M]-	167.11157	133.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe