CID 55266035

1895092-39-3

Structural Information

Molecular Formula

C₈H₁₁FN₂

SMILES

C1=C(C=NC=C1F)CCCN

InChI

InChI=1S/C8H11FN2/c9-8-4-7(2-1-3-10)5-11-6-8/h4-6H,1-3,10H2

InChIKey

CQDAYVXVRPGUTM-UHFFFAOYSA-N

Compound name

3-(5-fluoropyridin-3-yl)propan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 154.09062 Da
Monoisotopic Mass: 0.6
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]+	155.09790	130.5
[M+Na]+	177.07984	138.5
[M-H]-	153.08334	131.0
[M+NH4]+	172.12444	149.9
[M+K]+	193.05378	135.9
[M+H-H2O]+	137.08788	123.0
[M+HCOO]-	199.08882	153.5
[M+CH3COO]-	213.10447	178.9
[M+Na-2H]-	175.06529	137.3
[M]+	154.09007	128.0
[M]-	154.09117	128.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe