CID 485274

Schembl414319

Structural Information

Molecular Formula

C₇H₁₂N₂O₂

SMILES

C1C[C@H](NC1)C(=O)NCC=O

InChI

InChI=1S/C7H12N2O2/c10-5-4-9-7(11)6-2-1-3-8-6/h5-6,8H,1-4H2,(H,9,11)/t6-/m0/s1

InChIKey

YKHSOLCASGJBIK-LURJTMIESA-N

Compound name

(2S)-N-(2-oxoethyl)pyrrolidine-2-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 49
Patents: 156.08987 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]+	157.09715	134.2
[M+Na]+	179.07909	139.2
[M-H]-	155.08259	134.3
[M+NH4]+	174.12369	154.1
[M+K]+	195.05303	137.7
[M+H-H2O]+	139.08713	127.7
[M+HCOO]-	201.08807	155.2
[M+CH3COO]-	215.10372	173.4
[M+Na-2H]-	177.06454	137.7
[M]+	156.08932	129.7
[M]-	156.09042	129.7

Literature stripe

literature stripe

Patent stripe

patents stripe