CID 85389398

Norpandamarilactonine a

Structural Information

Molecular Formula

C₉H₁₃NO₂

SMILES

CC1=CC(OC1=O)C2CCCN2

InChI

InChI=1S/C9H13NO2/c1-6-5-8(12-9(6)11)7-3-2-4-10-7/h5,7-8,10H,2-4H2,1H3

InChIKey

LJJVKZSKPLBBSU-UHFFFAOYSA-N

Compound name

4-methyl-2-pyrrolidin-2-yl-2H-furan-5-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 167.09464 Da
Monoisotopic Mass: 0.8
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]+	168.101916	135.7
[M+Na]+	190.083858	142.8
[M-H]-	166.087364	140.3
[M+NH4]+	185.128463	156.4
[M+K]+	206.057798	141.7
[M+H-H2O]+	150.091900	130.2
[M+HCOO]-	212.092841	155.8
[M+CH3COO]-	226.108491	173.9
[M+Na-2H]-	188.069306	137.4
[M]+	167.09409142	132.5
[M]-	167.09518858	132.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.