CID 178244190

6-ethyl-4-oxido-3,6-dihydro-2h-1,4-oxazin-4-ium

Structural Information

Molecular Formula

C₆H₁₁NO₂

SMILES

CCC1C=[N+](CCO1)[O-]

InChI

InChI=1S/C6H11NO2/c1-2-6-5-7(8)3-4-9-6/h5-6H,2-4H2,1H3

InChIKey

IXPXVZNODMBEKW-UHFFFAOYSA-N

Compound name

6-ethyl-4-oxido-3,6-dihydro-2H-1,4-oxazin-4-ium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 129.07898 Da
Monoisotopic Mass: -1.0
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]+	130.086256	125.2
[M+Na]+	152.068198	132.3
[M-H]-	128.071704	126.7
[M+NH4]+	147.112803	143.8
[M+K]+	168.042138	128.2
[M+H-H2O]+	112.076240	124.3
[M+HCOO]-	174.077181	145.3
[M+CH3COO]-	188.092831	161.0
[M+Na-2H]-	150.053646	134.7
[M]+	129.07843142	122.0
[M]-	129.07952858	122.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.