CID 4962877

1803588-71-7

Structural Information

Molecular Formula

C₁₀H₁₄FN

SMILES

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

InChI

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

InChIKey

DKHSXWXHXFRKON-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 164
Patents: 167.11102 Da
Monoisotopic Mass: 2.2
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	136.3
[M+Na]+	190.10024	142.9
[M-H]-	166.10374	138.2
[M+NH4]+	185.14484	156.4
[M+K]+	206.07418	140.9
[M+H-H2O]+	150.10828	129.7
[M+HCOO]-	212.10922	157.9
[M+CH3COO]-	226.12487	184.1
[M+Na-2H]-	188.08569	139.4
[M]+	167.11047	132.7
[M]-	167.11157	132.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe