CID 168032

22208-25-9

Structural Information

Molecular Formula
C18H26O9
SMILES
CCC(COC(=O)CC(=O)C)(COC(=O)CC(=O)C)COC(=O)CC(=O)C
InChI
InChI=1S/C18H26O9/c1-5-18(9-25-15(22)6-12(2)19,10-26-16(23)7-13(3)20)11-27-17(24)8-14(4)21/h5-11H2,1-4H3
InChIKey
VRWWRSQIOZLGAM-UHFFFAOYSA-N
Compound name
2,2-bis(3-oxobutanoyloxymethyl)butyl 3-oxobutanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

727
Patents

386.15768 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.16496 194.5
[M+Na]+ 409.14690 197.0
[M+NH4]+ 404.19150 201.8
[M+K]+ 425.12084 194.6
[M-H]- 385.15040 194.5
[M+Na-2H]- 407.13235 202.4
[M]+ 386.15713 195.3
[M]- 386.15823 195.3
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

patents stripe