CID 11369276

180854-44-8

Structural Information

Molecular Formula

C₁₃H₂₁NO₅

SMILES

CCOC(=O)[C@@H]1CC(=O)CCN1C(=O)OC(C)(C)C

InChI

InChI=1S/C13H21NO5/c1-5-18-11(16)10-8-9(15)6-7-14(10)12(17)19-13(2,3)4/h10H,5-8H2,1-4H3/t10-/m0/s1

InChIKey

YAVQLRUBKDCOCI-JTQLQIEISA-N

Compound name

1-O-tert-butyl 2-O-ethyl (2S)-4-oxopiperidine-1,2-dicarboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 271.14197 Da
Monoisotopic Mass: 0.9
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]+	272.149246	160.7
[M+Na]+	294.131188	166.0
[M-H]-	270.134694	162.3
[M+NH4]+	289.175793	175.9
[M+K]+	310.105128	166.2
[M+H-H2O]+	254.139230	154.6
[M+HCOO]-	316.140171	176.5
[M+CH3COO]-	330.155821	196.6
[M+Na-2H]-	292.116636	161.6
[M]+	271.14142142	162.3
[M]-	271.14251858	162.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe