CID 77410

3779-29-1

Structural Information

Molecular Formula

C₁₀H₁₆O₄

SMILES

CCOC(=O)C1(CCC1)C(=O)OCC

InChI

InChI=1S/C10H16O4/c1-3-13-8(11)10(6-5-7-10)9(12)14-4-2/h3-7H2,1-2H3

InChIKey

JPNJEJSZSMXWSV-UHFFFAOYSA-N

Compound name

diethyl cyclobutane-1,1-dicarboxylate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 392
Patents: 200.10486 Da
Monoisotopic Mass: 1.8
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]+	201.11214	144.8
[M+Na]+	223.09408	149.3
[M-H]-	199.09758	148.0
[M+NH4]+	218.13868	159.1
[M+K]+	239.06802	152.8
[M+H-H2O]+	183.10212	135.4
[M+HCOO]-	245.10306	164.8
[M+CH3COO]-	259.11871	186.6
[M+Na-2H]-	221.07953	148.1
[M]+	200.10431	156.4
[M]-	200.10541	156.4

Literature stripe

literature stripe

Patent stripe

patents stripe