CID 3087209

Benzo(3,4)cyclobuta(1,2-b)benzofuran-4(1h)-one, 2,3,4a,9c-tetrahydro-8-hydroxy-6,7,9-trimethyl-

Structural Information

Molecular Formula
C17H18O3
SMILES
CC1=C(C2=C(C(=C1O)C)C3=C(O2)C4C3CCCC4=O)C
InChI
InChI=1S/C17H18O3/c1-7-8(2)16-12(9(3)15(7)19)14-10-5-4-6-11(18)13(10)17(14)20-16/h10,13,19H,4-6H2,1-3H3
InChIKey
HQAFWXJIGCEVHM-UHFFFAOYSA-N
Compound name
4-hydroxy-3,5,6-trimethyl-8-oxatetracyclo[7.6.0.02,7.010,15]pentadeca-1(9),2(7),3,5-tetraen-11-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.12558 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.13286 157.3
[M+Na]+ 293.11480 167.1
[M+NH4]+ 288.15940 162.8
[M+K]+ 309.08874 164.2
[M-H]- 269.11830 158.4
[M+Na-2H]- 291.10025 156.9
[M]+ 270.12503 158.0
[M]- 270.12613 158.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.