CID 3076260

Brn 4330350

Structural Information

Molecular Formula

C₁₅H₁₆O₆

SMILES

CC1(OC(=O)C2(CCC(=O)CC2C3=CC=CO3)C(=O)O1)C

InChI

InChI=1S/C15H16O6/c1-14(2)20-12(17)15(13(18)21-14)6-5-9(16)8-10(15)11-4-3-7-19-11/h3-4,7,10H,5-6,8H2,1-2H3

InChIKey

VURALEHVRKDLAR-UHFFFAOYSA-N

Compound name

11-(furan-2-yl)-3,3-dimethyl-2,4-dioxaspiro[5.5]undecane-1,5,9-trione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 292.0947 Da
Monoisotopic Mass: 1.1
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]+	293.101976	159.4
[M+Na]+	315.083918	167.9
[M-H]-	291.087424	170.5
[M+NH4]+	310.128523	176.9
[M+K]+	331.057858	169.3
[M+H-H2O]+	275.091960	154.7
[M+HCOO]-	337.092901	175.9
[M+CH3COO]-	351.108551	198.7
[M+Na-2H]-	313.069366	164.5
[M]+	292.09415142	160.3
[M]-	292.09524858	160.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.