CID 9967963

6079-98-7

Structural Information

Molecular Formula
C15H20O9
SMILES
CC(=O)CC(=O)OCC(COC(=O)CC(=O)C)OC(=O)CC(=O)C
InChI
InChI=1S/C15H20O9/c1-9(16)4-13(19)22-7-12(24-15(21)6-11(3)18)8-23-14(20)5-10(2)17/h12H,4-8H2,1-3H3
InChIKey
BCFBCLJFXYLWCI-UHFFFAOYSA-N
Compound name
2,3-bis(3-oxobutanoyloxy)propyl 3-oxobutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

529
Patents

344.11072 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.11800 173.3
[M+Na]+ 367.09994 191.6
[M+NH4]+ 362.14454 196.4
[M+K]+ 383.07388 189.8
[M-H]- 343.10344 190.5
[M+Na-2H]- 365.08539 169.3
[M]+ 344.11017 190.2
[M]- 344.11127 190.2
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

patents stripe