CID 145874830

2375274-20-5

Structural Information

Molecular Formula

C₈H₁₃NO₄

SMILES

COC(=O)C1(CCNC1)C(=O)OC

InChI

InChI=1S/C8H13NO4/c1-12-6(10)8(7(11)13-2)3-4-9-5-8/h9H,3-5H2,1-2H3

InChIKey

JBSFYFLUQBZDQQ-UHFFFAOYSA-N

Compound name

dimethyl pyrrolidine-3,3-dicarboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 187.08446 Da
Monoisotopic Mass: -0.3
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]+	188.09174	141.8
[M+Na]+	210.07368	148.9
[M+NH4]+	205.11828	148.8
[M+K]+	226.04762	146.1
[M-H]-	186.07718	139.4
[M+Na-2H]-	208.05913	144.7
[M]+	187.08391	141.7
[M]-	187.08501	141.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.