CID 3048011

63869-94-3

Structural Information

Molecular Formula
C13H16O6
SMILES
CC1CC(=O)C(C(=O)O1)CC2C(=O)CC(OC2=O)C
InChI
InChI=1S/C13H16O6/c1-6-3-10(14)8(12(16)18-6)5-9-11(15)4-7(2)19-13(9)17/h6-9H,3-5H2,1-2H3
InChIKey
GGLDCZBRUGAUIT-UHFFFAOYSA-N
Compound name
6-methyl-3-[(6-methyl-2,4-dioxooxan-3-yl)methyl]oxane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.0947 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.10198 155.4
[M+Na]+ 291.08392 162.8
[M-H]- 267.08742 163.5
[M+NH4]+ 286.12852 169.5
[M+K]+ 307.05786 163.4
[M+H-H2O]+ 251.09196 149.3
[M+HCOO]- 313.09290 171.6
[M+CH3COO]- 327.10855 198.9
[M+Na-2H]- 289.06937 156.6
[M]+ 268.09415 155.4
[M]- 268.09525 155.4
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.