CID 10608448

1431966-47-0

Structural Information

Molecular Formula

C₁₂H₁₇FN₂

SMILES

CC1CCN(CC1)C2=C(C=C(C=C2)N)F

InChI

InChI=1S/C12H17FN2/c1-9-4-6-15(7-5-9)12-3-2-10(14)8-11(12)13/h2-3,8-9H,4-7,14H2,1H3

InChIKey

PPWOKXFIFJMCRB-UHFFFAOYSA-N

Compound name

3-fluoro-4-(4-methylpiperidin-1-yl)aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 32
Patents: 208.13757 Da
Monoisotopic Mass: 2.7
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]+	209.14485	147.3
[M+Na]+	231.12679	153.8
[M-H]-	207.13029	150.5
[M+NH4]+	226.17139	164.5
[M+K]+	247.10073	149.9
[M+H-H2O]+	191.13483	138.7
[M+HCOO]-	253.13577	166.0
[M+CH3COO]-	267.15142	189.9
[M+Na-2H]-	229.11224	150.0
[M]+	208.13702	140.2
[M]-	208.13812	140.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe