CID 12524342

73690-99-0

Structural Information

Molecular Formula

C₁₁H₁₈O₅

SMILES

CCOC(=O)C1(CCCCO1)C(=O)OCC

InChI

InChI=1S/C11H18O5/c1-3-14-9(12)11(10(13)15-4-2)7-5-6-8-16-11/h3-8H2,1-2H3

InChIKey

RNQHWRAYLVPEGV-UHFFFAOYSA-N

Compound name

diethyl oxane-2,2-dicarboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 20
Patents: 230.11542 Da
Monoisotopic Mass: 1.5
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]+	231.122696	150.8
[M+Na]+	253.104638	155.3
[M-H]-	229.108144	154.1
[M+NH4]+	248.149243	169.0
[M+K]+	269.078578	157.2
[M+H-H2O]+	213.112680	145.5
[M+HCOO]-	275.113621	169.0
[M+CH3COO]-	289.129271	186.9
[M+Na-2H]-	251.090086	155.1
[M]+	230.11487142	152.6
[M]-	230.11596858	152.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe