CID 82595753

2247102-32-3

Structural Information

Molecular Formula

C₆H₈N₂O₃

SMILES

C1=C(N=CO1)CC(C(=O)O)N

InChI

InChI=1S/C6H8N2O3/c7-5(6(9)10)1-4-2-11-3-8-4/h2-3,5H,1,7H2,(H,9,10)

InChIKey

ATIDWBWNZAIOFY-UHFFFAOYSA-N

Compound name

2-amino-3-(1,3-oxazol-4-yl)propanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 156.0535 Da
Monoisotopic Mass: -3.0
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]+	157.06078	131.2
[M+Na]+	179.04272	139.6
[M+NH4]+	174.08732	137.3
[M+K]+	195.01666	139.2
[M-H]-	155.04622	131.4
[M+Na-2H]-	177.02817	134.2
[M]+	156.05295	131.9
[M]-	156.05405	131.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe