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: 278
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	124.4
[M+Na]+	151.04780	131.7
[M-H]-	127.05130	126.2
[M+NH4]+	146.09240	146.2
[M+K]+	167.02174	131.2
[M+H-H2O]+	111.05584	118.5
[M+HCOO]-	173.05678	147.0
[M+CH3COO]-	187.07243	170.4
[M+Na-2H]-	149.03325	127.7
[M]+	128.05803	120.4
[M]-	128.05913	120.4

Literature stripe

literature stripe

Patent stripe

patents stripe