CID 43001

59288-15-2

Structural Information

Molecular Formula

C₁₃H₁₄N₂O₂

SMILES

C1CCN(C1)C2=C(C(=O)OC3=CC=CC=C32)N

InChI

InChI=1S/C13H14N2O2/c14-11-12(15-7-3-4-8-15)9-5-1-2-6-10(9)17-13(11)16/h1-2,5-6H,3-4,7-8,14H2

InChIKey

KUMMFXRVHNGDJZ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 9
References: 0
Patents: 230.10553 Da
Monoisotopic Mass: 1.8
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]+	231.112806	148.9
[M+Na]+	253.094748	157.6
[M-H]-	229.098254	155.8
[M+NH4]+	248.139353	166.7
[M+K]+	269.068688	154.6
[M+H-H2O]+	213.102790	141.6
[M+HCOO]-	275.103731	170.2
[M+CH3COO]-	289.119381	161.9
[M+Na-2H]-	251.080196	154.0
[M]+	230.10498142	147.2
[M]-	230.10607858	147.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.