CID 88501

20348-21-4

Structural Information

Molecular Formula

C₉H₁₀N₂O₂

SMILES

CC1(C(=O)NC2=C(O1)C=CC=N2)C

InChI

InChI=1S/C9H10N2O2/c1-9(2)8(12)11-7-6(13-9)4-3-5-10-7/h3-5H,1-2H3,(H,10,11,12)

InChIKey

DMLNXUUGRSBBBR-UHFFFAOYSA-N

Compound name

2,2-dimethyl-4H-pyrido[3,2-b][1,4]oxazin-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 31
Patents: 178.07423 Da
Monoisotopic Mass: 0.7
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]+	179.08151	137.0
[M+Na]+	201.06345	150.6
[M+NH4]+	196.10805	146.4
[M+K]+	217.03739	143.0
[M-H]-	177.06695	139.2
[M+Na-2H]-	199.04890	143.5
[M]+	178.07368	139.7
[M]-	178.07478	139.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe