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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.10198 159.4
[M+Na]+ 315.08392 167.9
[M-H]- 291.08742 170.5
[M+NH4]+ 310.12852 176.9
[M+K]+ 331.05786 169.3
[M+H-H2O]+ 275.09196 154.7
[M+HCOO]- 337.09290 175.9
[M+CH3COO]- 351.10855 198.7
[M+Na-2H]- 313.06937 164.5
[M]+ 292.09415 160.3
[M]- 292.09525 160.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.