CID 4251853

362706-26-1

Structural Information

Molecular Formula

C₁₁H₁₇NO₅

SMILES

CC(C)(C)OC(=O)N1CC(=O)CC1C(=O)OC

InChI

InChI=1S/C11H17NO5/c1-11(2,3)17-10(15)12-6-7(13)5-8(12)9(14)16-4/h8H,5-6H2,1-4H3

InChIKey

UPBHYYJZVWZCOZ-UHFFFAOYSA-N

Compound name

1-O-tert-butyl 2-O-methyl 4-oxopyrrolidine-1,2-dicarboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1151
Patents: 243.11067 Da
Monoisotopic Mass: 0.6
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]+	244.11795	152.6
[M+Na]+	266.09989	159.6
[M-H]-	242.10339	155.0
[M+NH4]+	261.14449	170.8
[M+K]+	282.07383	160.1
[M+H-H2O]+	226.10793	147.4
[M+HCOO]-	288.10887	171.2
[M+CH3COO]-	302.12452	190.1
[M+Na-2H]-	264.08534	153.3
[M]+	243.11012	155.5
[M]-	243.11122	155.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe