CID 13035392

62221-86-7

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C6H9NO2/c7-6(9)4-2-1-3-5(4)8/h4H,1-3H2,(H2,7,9)

InChIKey

UEPCFCWEIKTKOZ-UHFFFAOYSA-N

Compound name

2-oxocyclopentane-1-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 48
Patents: 127.06333 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]+	128.070606	124.7
[M+Na]+	150.052548	131.4
[M-H]-	126.056054	127.7
[M+NH4]+	145.097153	147.8
[M+K]+	166.026488	130.7
[M+H-H2O]+	110.060590	119.6
[M+HCOO]-	172.061531	148.1
[M+CH3COO]-	186.077181	171.4
[M+Na-2H]-	148.037996	127.5
[M]+	127.06278142	120.6
[M]-	127.06387858	120.6

Literature stripe

literature stripe

Patent stripe

patents stripe