CID 16771508

1-(furan-3-carbonyl)piperidin-4-amine

Structural Information

Molecular Formula

C₁₀H₁₄N₂O₂

SMILES

C1CN(CCC1N)C(=O)C2=COC=C2

InChI

InChI=1S/C10H14N2O2/c11-9-1-4-12(5-2-9)10(13)8-3-6-14-7-8/h3,6-7,9H,1-2,4-5,11H2

InChIKey

FFFQQRAYJATYKT-UHFFFAOYSA-N

Compound name

(4-aminopiperidin-1-yl)-(furan-3-yl)methanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 194.10553 Da
Monoisotopic Mass: 0.1
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]+	195.112806	142.7
[M+Na]+	217.094748	148.0
[M-H]-	193.098254	147.8
[M+NH4]+	212.139353	160.3
[M+K]+	233.068688	147.2
[M+H-H2O]+	177.102790	135.4
[M+HCOO]-	239.103731	162.7
[M+CH3COO]-	253.119381	182.3
[M+Na-2H]-	215.080196	145.7
[M]+	194.10498142	138.1
[M]-	194.10607858	138.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe