CID 14433034

122458-05-3

Structural Information

Molecular Formula
C15H18O5
SMILES
CC1(C2CC=C3COC4C3C2(C(CC1=O)O)C(=O)O4)C
InChI
InChI=1S/C15H18O5/c1-14(2)8-4-3-7-6-19-12-11(7)15(8,13(18)20-12)10(17)5-9(14)16/h3,8,10-12,17H,4-6H2,1-2H3
InChIKey
UUOCODHGILANAP-UHFFFAOYSA-N
Compound name
2-hydroxy-5,5-dimethyl-11,13-dioxatetracyclo[7.5.1.01,6.012,15]pentadec-8-ene-4,14-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

278.11542 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.12270 157.5
[M+Na]+ 301.10464 166.3
[M-H]- 277.10814 163.7
[M+NH4]+ 296.14924 181.0
[M+K]+ 317.07858 164.7
[M+H-H2O]+ 261.11268 154.7
[M+HCOO]- 323.11362 170.2
[M+CH3COO]- 337.12927 170.0
[M+Na-2H]- 299.09009 161.2
[M]+ 278.11487 158.6
[M]- 278.11597 158.6
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.