CID 82595764

1334494-67-5

Structural Information

Molecular Formula

C₆H₈N₂O₃

SMILES

CC(C1=NOC=C1C(=O)O)N

InChI

InChI=1S/C6H8N2O3/c1-3(7)5-4(6(9)10)2-11-8-5/h2-3H,7H2,1H3,(H,9,10)

InChIKey

YZZKJHBZSNMNPF-UHFFFAOYSA-N

Compound name

3-(1-aminoethyl)-1,2-oxazole-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 156.0535 Da
Monoisotopic Mass: -3.1
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	131.0
[M+Na]+	179.04272	139.8
[M+NH4]+	174.08732	137.1
[M+K]+	195.01666	139.5
[M-H]-	155.04622	131.3
[M+Na-2H]-	177.02817	133.7
[M]+	156.05295	131.8
[M]-	156.05405	131.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.