CID 14433033

5,5-dimethyl-11,13-dioxatetracyclo[7.5.1.01,6.012,15]pentadeca-3,8-diene-2,14-dione

Structural Information

Molecular Formula
C15H16O4
SMILES
CC1(C=CC(=O)C23C1CC=C4C2C(OC4)OC3=O)C
InChI
InChI=1S/C15H16O4/c1-14(2)6-5-10(16)15-9(14)4-3-8-7-18-12(11(8)15)19-13(15)17/h3,5-6,9,11-12H,4,7H2,1-2H3
InChIKey
CJZUKWREGMGONS-UHFFFAOYSA-N
Compound name
5,5-dimethyl-11,13-dioxatetracyclo[7.5.1.01,6.012,15]pentadeca-3,8-diene-2,14-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

260.10486 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.11214 153.2
[M+Na]+ 283.09408 162.8
[M-H]- 259.09758 160.9
[M+NH4]+ 278.13868 178.1
[M+K]+ 299.06802 161.2
[M+H-H2O]+ 243.10212 149.6
[M+HCOO]- 305.10306 168.9
[M+CH3COO]- 319.11871 166.7
[M+Na-2H]- 281.07953 158.3
[M]+ 260.10431 155.5
[M]- 260.10541 155.5
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.