CID 3062562

98426-60-9

Structural Information

Molecular Formula

C₈H₁₃NO₃

SMILES

CCC1(COC(=O)N(C1=O)C)C

InChI

InChI=1S/C8H13NO3/c1-4-8(2)5-12-7(11)9(3)6(8)10/h4-5H2,1-3H3

InChIKey

FAFKIZOWMCHLMM-UHFFFAOYSA-N

Compound name

5-ethyl-3,5-dimethyl-1,3-oxazinane-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 171.08954 Da
Monoisotopic Mass: 0.9
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]+	172.09682	135.6
[M+Na]+	194.07876	147.2
[M+NH4]+	189.12336	144.1
[M+K]+	210.05270	140.8
[M-H]-	170.08226	137.1
[M+Na-2H]-	192.06421	140.4
[M]+	171.08899	137.7
[M]-	171.09009	137.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.