CID 71742312

1349199-61-6

Structural Information

Molecular Formula

C₁₀H₁₅NO₄

SMILES

CC(C)(C)OC(=O)N1CC2(C1)C(=O)CO2

InChI

InChI=1S/C10H15NO4/c1-9(2,3)15-8(13)11-5-10(6-11)7(12)4-14-10/h4-6H2,1-3H3

InChIKey

OIFFGPWHSKSMTM-UHFFFAOYSA-N

Compound name

tert-butyl 3-oxo-1-oxa-6-azaspiro[3.3]heptane-6-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 213.10011 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]+	214.10739	136.7
[M+Na]+	236.08933	141.0
[M-H]-	212.09283	141.5
[M+NH4]+	231.13393	142.1
[M+K]+	252.06327	148.0
[M+H-H2O]+	196.09737	123.5
[M+HCOO]-	258.09831	151.4
[M+CH3COO]-	272.11396	196.6
[M+Na-2H]-	234.07478	142.7
[M]+	213.09956	155.1
[M]-	213.10066	155.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe