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]+ 279.122696 157.5
[M+Na]+ 301.104638 166.3
[M-H]- 277.108144 163.7
[M+NH4]+ 296.149243 181.0
[M+K]+ 317.078578 164.7
[M+H-H2O]+ 261.112680 154.7
[M+HCOO]- 323.113621 170.2
[M+CH3COO]- 337.129271 170.0
[M+Na-2H]- 299.090086 161.2
[M]+ 278.11487142 158.6
[M]- 278.11596858 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.