CID 167727382

En300-45158106

Structural Information

Molecular Formula

C₁₁H₁₇NO₄

SMILES

CC(C)(C)OC(=O)N1CCO[C@@H]2[C@H]1CC2=O

InChI

InChI=1S/C11H17NO4/c1-11(2,3)16-10(14)12-4-5-15-9-7(12)6-8(9)13/h7,9H,4-6H2,1-3H3/t7-,9-/m1/s1

InChIKey

VYTOWJNCLUOEFG-VXNVDRBHSA-N

Compound name

tert-butyl (1R,6R)-8-oxo-2-oxa-5-azabicyclo[4.2.0]octane-5-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 227.11575 Da
Monoisotopic Mass: 0.4
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]+	228.123026	146.2
[M+Na]+	250.104968	151.4
[M-H]-	226.108474	149.5
[M+NH4]+	245.149573	156.6
[M+K]+	266.078908	155.4
[M+H-H2O]+	210.113010	135.6
[M+HCOO]-	272.113951	160.4
[M+CH3COO]-	286.129601	192.1
[M+Na-2H]-	248.090416	151.2
[M]+	227.11520142	155.9
[M]-	227.11629858	155.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.