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]+ 303.143846 166.8
[M+Na]+ 325.125788 170.3
[M-H]- 301.129294 168.9
[M+NH4]+ 320.170393 175.2
[M+K]+ 341.099728 174.4
[M+H-H2O]+ 285.133830 156.6
[M+HCOO]- 347.134771 183.6
[M+CH3COO]- 361.150421 203.6
[M+Na-2H]- 323.111236 167.8
[M]+ 302.13602142 182.7
[M]- 302.13711858 182.7
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.