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]+	168.10192	136.4
[M+Na]+	190.08386	146.0
[M+NH4]+	185.12846	144.4
[M+K]+	206.05780	144.9
[M-H]-	166.08736	139.0
[M+Na-2H]-	188.06931	139.9
[M]+	167.09409	138.2
[M]-	167.09519	138.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.