CID 129774967

2,2-dimethyl-5-methyl-oxazoline-n-oxide

Structural Information

Molecular Formula

C₆H₁₁NO₂

SMILES

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

InChI

InChI=1S/C6H11NO2/c1-5-4-7(8)6(2,3)9-5/h4-5H,1-3H3

InChIKey

VXTTWERRLSFBHB-UHFFFAOYSA-N

Compound name

2,2,5-trimethyl-3-oxido-5H-1,3-oxazol-3-ium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 129.07898 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]+	130.086256	122.8
[M+Na]+	152.068198	132.7
[M-H]-	128.071704	125.3
[M+NH4]+	147.112803	145.7
[M+K]+	168.042138	128.7
[M+H-H2O]+	112.076240	123.7
[M+HCOO]-	174.077181	145.1
[M+CH3COO]-	188.092831	161.4
[M+Na-2H]-	150.053646	131.9
[M]+	129.07843142	122.3
[M]-	129.07952858	122.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.