CID 57372572

1313710-31-4

Structural Information

Molecular Formula

C₁₀H₁₅NO₄

SMILES

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

InChI

InChI=1S/C10H15NO4/c1-6-7(12)5-8(13)11(6)9(14)15-10(2,3)4/h6H,5H2,1-4H3/t6-/m1/s1

InChIKey

XLXSMICXDWTYCA-ZCFIWIBFSA-N

Compound name

tert-butyl (2R)-2-methyl-3,5-dioxopyrrolidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 28
Patents: 213.10011 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]+	214.107386	144.6
[M+Na]+	236.089328	153.3
[M-H]-	212.092834	147.4
[M+NH4]+	231.133933	164.5
[M+K]+	252.063268	153.0
[M+H-H2O]+	196.097370	139.9
[M+HCOO]-	258.098311	164.3
[M+CH3COO]-	272.113961	186.0
[M+Na-2H]-	234.074776	146.2
[M]+	213.09956142	146.8
[M]-	213.10065858	146.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe