CID 432117

2219407-40-4

Structural Information

Molecular Formula

C₅H₈N₂O₂

SMILES

C1=C(ONC1=O)CCN

InChI

InChI=1S/C5H8N2O2/c6-2-1-4-3-5(8)7-9-4/h3H,1-2,6H2,(H,7,8)

InChIKey

BBXKZVVSSHFHRQ-UHFFFAOYSA-N

Compound name

5-(2-aminoethyl)-1,2-oxazol-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 128.05858 Da
Monoisotopic Mass: -1.0
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]+	129.065856	122.3
[M+Na]+	151.047798	131.1
[M-H]-	127.051304	123.8
[M+NH4]+	146.092403	142.4
[M+K]+	167.021738	130.2
[M+H-H2O]+	111.055840	116.4
[M+HCOO]-	173.056781	146.1
[M+CH3COO]-	187.072431	167.8
[M+Na-2H]-	149.033246	129.2
[M]+	128.05803142	121.4
[M]-	128.05912858	121.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.