CID 68204840

2225141-60-4

Structural Information

Molecular Formula

C₈H₈N₂O₃

SMILES

C1COC2=C(N1)N=CC(=C2)C(=O)O

InChI

InChI=1S/C8H8N2O3/c11-8(12)5-3-6-7(10-4-5)9-1-2-13-6/h3-4H,1-2H2,(H,9,10)(H,11,12)

InChIKey

WVYLNPWKPJIBOI-UHFFFAOYSA-N

Compound name

3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine-7-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21
Patents: 180.0535 Da
Monoisotopic Mass: 0.4
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]+	181.06078	136.1
[M+Na]+	203.04272	147.9
[M+NH4]+	198.08732	143.1
[M+K]+	219.01666	143.8
[M-H]-	179.04622	137.0
[M+Na-2H]-	201.02817	140.1
[M]+	180.05295	137.8
[M]-	180.05405	137.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe