CID 16753421

897043-85-5

Structural Information

Molecular Formula

C₁₃H₂₁NO₅

SMILES

CCOC(=O)C1(CN(CC1=O)C(=O)OC(C)(C)C)C

InChI

InChI=1S/C13H21NO5/c1-6-18-10(16)13(5)8-14(7-9(13)15)11(17)19-12(2,3)4/h6-8H2,1-5H3

InChIKey

YDASEKAEWNKGEJ-UHFFFAOYSA-N

Compound name

1-O-tert-butyl 3-O-ethyl 3-methyl-4-oxopyrrolidine-1,3-dicarboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 29
Patents: 271.14197 Da
Monoisotopic Mass: 1.5
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	159.4
[M+Na]+	294.131188	166.5
[M-H]-	270.134694	161.7
[M+NH4]+	289.175793	178.6
[M+K]+	310.105128	166.8
[M+H-H2O]+	254.139230	155.2
[M+HCOO]-	316.140171	177.4
[M+CH3COO]-	330.155821	195.7
[M+Na-2H]-	292.116636	160.8
[M]+	271.14142142	163.5
[M]-	271.14251858	163.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe