CID 85101044

Garcinia lactone dibutyl ester

Structural Information

Molecular Formula
C14H22O7
SMILES
CCCCOC(=O)CC1(C(OC1=O)C(=O)OCCCC)O
InChI
InChI=1S/C14H22O7/c1-3-5-7-19-10(15)9-14(18)11(21-13(14)17)12(16)20-8-6-4-2/h11,18H,3-9H2,1-2H3
InChIKey
TYDSJOYVIREIOH-UHFFFAOYSA-N
Compound name
butyl 3-(2-butoxy-2-oxoethyl)-3-hydroxy-4-oxooxetane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

302.13657 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.14385 173.7
[M+Na]+ 325.12579 176.0
[M+NH4]+ 320.17039 174.1
[M+K]+ 341.09973 173.7
[M-H]- 301.12929 168.8
[M+Na-2H]- 323.11124 171.1
[M]+ 302.13602 171.0
[M]- 302.13712 171.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.