CID 12159839

127914-05-0

Structural Information

Molecular Formula

C₆H₁₀N₂O₃

SMILES

C1COC(=O)N1CCC(=O)N

InChI

InChI=1S/C6H10N2O3/c7-5(9)1-2-8-3-4-11-6(8)10/h1-4H2,(H2,7,9)

InChIKey

AEVTWSSVGPXZCE-UHFFFAOYSA-N

Compound name

3-(2-oxo-1,3-oxazolidin-3-yl)propanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 158.06914 Da
Monoisotopic Mass: -1.3
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]+	159.076416	131.7
[M+Na]+	181.058358	138.5
[M-H]-	157.061864	133.9
[M+NH4]+	176.102963	150.9
[M+K]+	197.032298	139.0
[M+H-H2O]+	141.066400	125.5
[M+HCOO]-	203.067341	153.2
[M+CH3COO]-	217.082991	176.2
[M+Na-2H]-	179.043806	135.5
[M]+	158.06859142	130.3
[M]-	158.06968858	130.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe