CID 6455071

65202-62-2

Structural Information

Molecular Formula

C₈H₁₀N₂O₄

SMILES

COC(=O)N1CCC2=C(C1)ONC2=O

InChI

InChI=1S/C8H10N2O4/c1-13-8(12)10-3-2-5-6(4-10)14-9-7(5)11/h2-4H2,1H3,(H,9,11)

InChIKey

CNEXRJOZCQIOAP-UHFFFAOYSA-N

Compound name

methyl 3-oxo-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridine-6-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 43
Patents: 198.06406 Da
Monoisotopic Mass: -0.5
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]+	199.071336	138.6
[M+Na]+	221.053278	147.4
[M-H]-	197.056784	140.0
[M+NH4]+	216.097883	156.2
[M+K]+	237.027218	146.8
[M+H-H2O]+	181.061320	132.2
[M+HCOO]-	243.062261	156.4
[M+CH3COO]-	257.077911	177.9
[M+Na-2H]-	219.038726	143.7
[M]+	198.06351142	139.0
[M]-	198.06460858	139.0

Literature stripe

literature stripe

Patent stripe

patents stripe