CID 38047

38464-24-3

Structural Information

Molecular Formula

C₁₄H₁₆N₂O₂

SMILES

C1CCN(CC1)C2=C(C(=O)OC3=CC=CC=C32)N

InChI

InChI=1S/C14H16N2O2/c15-12-13(16-8-4-1-5-9-16)10-6-2-3-7-11(10)18-14(12)17/h2-3,6-7H,1,4-5,8-9,15H2

InChIKey

MIOIKICKVVULMN-UHFFFAOYSA-N

Compound name

3-amino-4-piperidin-1-ylchromen-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 0
Patents: 244.12119 Da
Monoisotopic Mass: 2.1
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]+	245.12847	154.1
[M+Na]+	267.11041	161.4
[M-H]-	243.11391	160.3
[M+NH4]+	262.15501	169.2
[M+K]+	283.08435	158.2
[M+H-H2O]+	227.11845	145.5
[M+HCOO]-	289.11939	172.7
[M+CH3COO]-	303.13504	165.7
[M+Na-2H]-	265.09586	160.2
[M]+	244.12064	150.4
[M]-	244.12174	150.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.