CID 3052160

68548-48-1

Structural Information

Molecular Formula

C₇H₁₂N₂O₃

SMILES

C1C(CN(C1=O)CCC(=O)N)O

InChI

InChI=1S/C7H12N2O3/c8-6(11)1-2-9-4-5(10)3-7(9)12/h5,10H,1-4H2,(H2,8,11)

InChIKey

URSOMCJSYBJWSF-UHFFFAOYSA-N

Compound name

3-(4-hydroxy-2-oxopyrrolidin-1-yl)propanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 172.0848 Da
Monoisotopic Mass: -2.3
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]+	173.09208	136.1
[M+Na]+	195.07402	142.8
[M-H]-	171.07752	136.5
[M+NH4]+	190.11862	155.6
[M+K]+	211.04796	141.5
[M+H-H2O]+	155.08206	130.2
[M+HCOO]-	217.08300	156.7
[M+CH3COO]-	231.09865	178.0
[M+Na-2H]-	193.05947	137.3
[M]+	172.08425	132.9
[M]-	172.08535	132.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe