CID 117968657

1683529-08-9

Structural Information

Molecular Formula

C₉H₁₅NO₄

SMILES

CC(C)(C)OC(=O)N1CC(=O)CCO1

InChI

InChI=1S/C9H15NO4/c1-9(2,3)14-8(12)10-6-7(11)4-5-13-10/h4-6H2,1-3H3

InChIKey

PMUIVZYTBNWSIH-UHFFFAOYSA-N

Compound name

tert-butyl 4-oxooxazinane-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 201.10011 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]+	202.10739	142.7
[M+Na]+	224.08933	148.9
[M-H]-	200.09283	145.2
[M+NH4]+	219.13393	159.3
[M+K]+	240.06327	150.3
[M+H-H2O]+	184.09737	136.8
[M+HCOO]-	246.09831	159.5
[M+CH3COO]-	260.11396	181.9
[M+Na-2H]-	222.07478	148.1
[M]+	201.09956	143.0
[M]-	201.10066	143.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe