CID 101902553

1384465-73-9

Structural Information

Molecular Formula

C₉H₁₄O₅

SMILES

CCOC(=O)C1(CCO1)C(=O)OCC

InChI

InChI=1S/C9H14O5/c1-3-12-7(10)9(5-6-14-9)8(11)13-4-2/h3-6H2,1-2H3

InChIKey

IWWLIEZOUHUGEI-UHFFFAOYSA-N

Compound name

diethyl oxetane-2,2-dicarboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 27
Patents: 202.08412 Da
Monoisotopic Mass: 0.8
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]+	203.091396	140.5
[M+Na]+	225.073338	145.2
[M-H]-	201.076844	144.5
[M+NH4]+	220.117943	153.5
[M+K]+	241.047278	150.6
[M+H-H2O]+	185.081380	131.1
[M+HCOO]-	247.082321	160.2
[M+CH3COO]-	261.097971	185.7
[M+Na-2H]-	223.058786	145.7
[M]+	202.08357142	153.8
[M]-	202.08466858	153.8

Literature stripe

literature stripe

Patent stripe

patents stripe