CID 28912

18144-50-8

Structural Information

Molecular Formula

C₁₄H₁₃NO₃

SMILES

C1CCN(C1)C(=O)C2=CC3=CC=CC=C3OC2=O

InChI

InChI=1S/C14H13NO3/c16-13(15-7-3-4-8-15)11-9-10-5-1-2-6-12(10)18-14(11)17/h1-2,5-6,9H,3-4,7-8H2

InChIKey

RPGFNKRNXYKRNZ-UHFFFAOYSA-N

Compound name

3-(pyrrolidine-1-carbonyl)chromen-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 8
References: 0
Patents: 243.08954 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]+	244.09682	151.6
[M+Na]+	266.07876	159.6
[M-H]-	242.08226	158.6
[M+NH4]+	261.12336	168.9
[M+K]+	282.05270	157.4
[M+H-H2O]+	226.08680	144.2
[M+HCOO]-	288.08774	171.5
[M+CH3COO]-	302.10339	164.3
[M+Na-2H]-	264.06421	156.1
[M]+	243.08899	151.4
[M]-	243.09009	151.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.