CID 68551479

1642125-48-1

Structural Information

Molecular Formula

C₉H₁₅NO₄

SMILES

CCOC(=O)C1(CNC1)C(=O)OCC

InChI

InChI=1S/C9H15NO4/c1-3-13-7(11)9(5-10-6-9)8(12)14-4-2/h10H,3-6H2,1-2H3

InChIKey

ZRMCEVQIPPFZSA-UHFFFAOYSA-N

Compound name

diethyl azetidine-3,3-dicarboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 30
Patents: 201.10011 Da
Monoisotopic Mass: 0.1
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]+	202.107386	146.4
[M+Na]+	224.089328	150.7
[M-H]-	200.092834	146.8
[M+NH4]+	219.133933	158.6
[M+K]+	240.063268	153.6
[M+H-H2O]+	184.097370	136.1
[M+HCOO]-	246.098311	163.9
[M+CH3COO]-	260.113961	183.7
[M+Na-2H]-	222.074776	149.5
[M]+	201.09956142	156.1
[M]-	201.10065858	156.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe