CID 82601716

Schembl13040799

Structural Information

Molecular Formula

C₁₀H₁₄FNO

SMILES

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

InChI

InChI=1S/C10H14FNO/c1-10(2,12)7-4-5-8(11)9(6-7)13-3/h4-6H,12H2,1-3H3

InChIKey

PXMZSNFLCNACDO-UHFFFAOYSA-N

Compound name

2-(4-fluoro-3-methoxyphenyl)propan-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 183.10594 Da
Monoisotopic Mass: 1.4
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]+	184.11322	138.4
[M+Na]+	206.09516	146.9
[M-H]-	182.09866	140.9
[M+NH4]+	201.13976	158.5
[M+K]+	222.06910	144.9
[M+H-H2O]+	166.10320	132.3
[M+HCOO]-	228.10414	160.7
[M+CH3COO]-	242.11979	185.9
[M+Na-2H]-	204.08061	144.0
[M]+	183.10539	137.5
[M]-	183.10649	137.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe