CID 91987531

653589-14-1

Structural Information

Molecular Formula

C₁₁H₁₇NO₄

SMILES

C[C@H]1CC(=O)CC(=O)N1C(=O)OC(C)(C)C

InChI

InChI=1S/C11H17NO4/c1-7-5-8(13)6-9(14)12(7)10(15)16-11(2,3)4/h7H,5-6H2,1-4H3/t7-/m0/s1

InChIKey

UAPGGOOREDFMCD-ZETCQYMHSA-N

Compound name

tert-butyl (2S)-2-methyl-4,6-dioxopiperidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 227.11575 Da
Monoisotopic Mass: 1.0
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	148.4
[M+Na]+	250.104968	155.9
[M-H]-	226.108474	150.8
[M+NH4]+	245.149573	165.9
[M+K]+	266.078908	155.4
[M+H-H2O]+	210.113010	143.0
[M+HCOO]-	272.113951	165.7
[M+CH3COO]-	286.129601	189.5
[M+Na-2H]-	248.090416	150.8
[M]+	227.11520142	149.0
[M]-	227.11629858	149.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe