CID 3063935

101834-47-3

Structural Information

Molecular Formula

C₇H₁₁NO₃

SMILES

CCC1(COC(=O)NC1=O)C

InChI

InChI=1S/C7H11NO3/c1-3-7(2)4-11-6(10)8-5(7)9/h3-4H2,1-2H3,(H,8,9,10)

InChIKey

ROSIVTQTEZPZLA-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 157.0739 Da
Monoisotopic Mass: 0.7
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]+	158.081176	129.9
[M+Na]+	180.063118	138.0
[M-H]-	156.066624	131.7
[M+NH4]+	175.107723	149.8
[M+K]+	196.037058	137.9
[M+H-H2O]+	140.071160	125.1
[M+HCOO]-	202.072101	148.2
[M+CH3COO]-	216.087751	172.6
[M+Na-2H]-	178.048566	136.7
[M]+	157.07335142	128.2
[M]-	157.07444858	128.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.