CID 141774201

2411573-54-9

Structural Information

Molecular Formula

C₈H₈N₂O₂

SMILES

CC1C(=O)NC2=C(O1)C=CN=C2

InChI

InChI=1S/C8H8N2O2/c1-5-8(11)10-6-4-9-3-2-7(6)12-5/h2-5H,1H3,(H,10,11)

InChIKey

KCTZTNWUXHRXFG-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 32
Patents: 164.05858 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]+	165.06586	131.9
[M+Na]+	187.04780	141.0
[M-H]-	163.05130	133.1
[M+NH4]+	182.09240	149.1
[M+K]+	203.02174	139.1
[M+H-H2O]+	147.05584	124.9
[M+HCOO]-	209.05678	149.4
[M+CH3COO]-	223.07243	144.8
[M+Na-2H]-	185.03325	140.7
[M]+	164.05803	130.1
[M]-	164.05913	130.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe