CID 13545131

91933-54-9

Structural Information

Molecular Formula

C₆H₆N₂O₄

SMILES

CC1=CC(=NO1)NC(=O)C(=O)O

InChI

InChI=1S/C6H6N2O4/c1-3-2-4(8-12-3)7-5(9)6(10)11/h2H,1H3,(H,10,11)(H,7,8,9)

InChIKey

YQLZGIZUEZWTTQ-UHFFFAOYSA-N

Compound name

2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoacetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 170.03276 Da
Monoisotopic Mass: 0.2
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]+	171.04004	133.5
[M+Na]+	193.02198	142.1
[M+NH4]+	188.06658	138.9
[M+K]+	208.99592	142.1
[M-H]-	169.02548	133.2
[M+Na-2H]-	191.00743	136.1
[M]+	170.03221	134.0
[M]-	170.03331	134.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe