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 166.8
[M+Na]+ 325.12579 170.3
[M-H]- 301.12929 168.9
[M+NH4]+ 320.17039 175.2
[M+K]+ 341.09973 174.4
[M+H-H2O]+ 285.13383 156.6
[M+HCOO]- 347.13477 183.6
[M+CH3COO]- 361.15042 203.6
[M+Na-2H]- 323.11124 167.8
[M]+ 302.13602 182.7
[M]- 302.13712 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.