CID 74975865

3-hydroxy-11,11-dimethyl-5-propan-2-yl-16-oxatetracyclo[7.5.2.01,10.02,7]hexadeca-2,5,7-triene-4,15-dione

Structural Information

Molecular Formula
C20H24O4
SMILES
CC(C)C1=CC2=CC3C4C(CCCC4(C2=C(C1=O)O)C(=O)O3)(C)C
InChI
InChI=1S/C20H24O4/c1-10(2)12-8-11-9-13-17-19(3,4)6-5-7-20(17,18(23)24-13)14(11)16(22)15(12)21/h8-10,13,17,22H,5-7H2,1-4H3
InChIKey
CYJLXXSGOZGYMC-UHFFFAOYSA-N
Compound name
3-hydroxy-11,11-dimethyl-5-propan-2-yl-16-oxatetracyclo[7.5.2.01,10.02,7]hexadeca-2,5,7-triene-4,15-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

328.16745 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.17473 174.8
[M+Na]+ 351.15667 183.4
[M-H]- 327.16017 180.6
[M+NH4]+ 346.20127 195.9
[M+K]+ 367.13061 179.8
[M+H-H2O]+ 311.16471 169.5
[M+HCOO]- 373.16565 186.5
[M+CH3COO]- 387.18130 211.9
[M+Na-2H]- 349.14212 176.2
[M]+ 328.16690 175.1
[M]- 328.16800 175.1
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.