CID 72756155

1,5,12,12-tetramethyl-8-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-4,9,11-triol

Structural Information

Molecular Formula
C15H20O4
SMILES
CC1=CC2=C(C=C1O)C3(C(CC(C3(C)C)(O2)O)O)C
InChI
InChI=1S/C15H20O4/c1-8-5-11-9(6-10(8)16)14(4)12(17)7-15(18,19-11)13(14,2)3/h5-6,12,16-18H,7H2,1-4H3
InChIKey
DHKFEYFQGRWJNR-UHFFFAOYSA-N
Compound name
1,5,12,12-tetramethyl-8-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-4,9,11-triol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

264.13617 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.14345 157.0
[M+Na]+ 287.12539 168.3
[M-H]- 263.12889 159.0
[M+NH4]+ 282.16999 181.9
[M+K]+ 303.09933 164.9
[M+H-H2O]+ 247.13343 154.5
[M+HCOO]- 309.13437 170.4
[M+CH3COO]- 323.15002 193.0
[M+Na-2H]- 285.11084 164.2
[M]+ 264.13562 159.5
[M]- 264.13672 159.5
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

patents stripe