CID 66982058

1352745-78-8

Structural Information

Molecular Formula

C₁₅H₂₅NO₅

SMILES

CC1(CCC(=O)N1C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

InChI

InChI=1S/C15H25NO5/c1-13(2,3)20-11(18)15(7)9-8-10(17)16(15)12(19)21-14(4,5)6/h8-9H2,1-7H3

InChIKey

ORKNGPXCDFIMEM-UHFFFAOYSA-N

Compound name

ditert-butyl 2-methyl-5-oxopyrrolidine-1,2-dicarboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 299.17328 Da
Monoisotopic Mass: 2.1
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]+	300.180556	166.6
[M+Na]+	322.162498	173.3
[M-H]-	298.166004	168.9
[M+NH4]+	317.207103	184.9
[M+K]+	338.136438	173.8
[M+H-H2O]+	282.170540	163.1
[M+HCOO]-	344.171481	182.4
[M+CH3COO]-	358.187131	201.4
[M+Na-2H]-	320.147946	168.6
[M]+	299.17273142	170.9
[M]-	299.17382858	170.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe