CID 326996

Squamolone

Structural Information

Molecular Formula

C₅H₈N₂O₂

SMILES

C1CC(=O)N(C1)C(=O)N

InChI

InChI=1S/C5H8N2O2/c6-5(9)7-3-1-2-4(7)8/h1-3H2,(H2,6,9)

InChIKey

XYVMBSCIEDOIJQ-UHFFFAOYSA-N

Compound name

2-oxopyrrolidine-1-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 123
Patents: 128.05858 Da
Monoisotopic Mass: -0.1
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]+	129.06586	125.6
[M+Na]+	151.04780	133.8
[M+NH4]+	146.09240	132.7
[M+K]+	167.02174	132.1
[M-H]-	127.05130	125.3
[M+Na-2H]-	149.03325	128.6
[M]+	128.05803	126.1
[M]-	128.05913	126.1

Literature stripe

literature stripe

Patent stripe

patents stripe