CID 178244135

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

Structural Information

Molecular Formula

C₆H₁₁NO₂

SMILES

CC1C[N+](=CC(O1)C)[O-]

InChI

InChI=1S/C6H11NO2/c1-5-3-7(8)4-6(2)9-5/h3,5-6H,4H2,1-2H3

InChIKey

AXUNUYMSONJLJC-UHFFFAOYSA-N

Compound name

2,6-dimethyl-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: -1.1
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	124.7
[M+Na]+	152.068198	132.8
[M-H]-	128.071704	126.6
[M+NH4]+	147.112803	143.7
[M+K]+	168.042138	128.6
[M+H-H2O]+	112.076240	124.1
[M+HCOO]-	174.077181	144.8
[M+CH3COO]-	188.092831	162.1
[M+Na-2H]-	150.053646	133.5
[M]+	129.07843142	121.8
[M]-	129.07952858	121.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.