CID 45122813

801179-01-1

Structural Information

Molecular Formula

C₈H₁₀N₂O

SMILES

CC1=C2C(=NC=C1)NCCO2

InChI

InChI=1S/C8H10N2O/c1-6-2-3-9-8-7(6)11-5-4-10-8/h2-3H,4-5H2,1H3,(H,9,10)

InChIKey

NYIDKPULWNVNGP-UHFFFAOYSA-N

Compound name

8-methyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 150.07932 Da
Monoisotopic Mass: 1.3
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]+	151.08660	130.2
[M+Na]+	173.06854	143.9
[M+NH4]+	168.11314	139.1
[M+K]+	189.04248	137.6
[M-H]-	149.07204	133.1
[M+Na-2H]-	171.05399	136.2
[M]+	150.07877	132.9
[M]-	150.07987	132.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe