CID 621021

Dehydrooxoperezinone

Structural Information

Molecular Formula
C15H14O4
SMILES
CC1=CC(=C2C3=C1C(=O)C(=O)C(=C3OC2(C)C)C)O
InChI
InChI=1S/C15H14O4/c1-6-5-8(16)11-10-9(6)13(18)12(17)7(2)14(10)19-15(11,3)4/h5,16H,1-4H3
InChIKey
AGQMXCDPDAUABZ-UHFFFAOYSA-N
Compound name
5-hydroxy-3,3,7,11-tetramethyl-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12)-tetraene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

5
Patents

258.0892 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.09648 152.8
[M+Na]+ 281.07842 165.6
[M-H]- 257.08192 158.7
[M+NH4]+ 276.12302 175.3
[M+K]+ 297.05236 162.8
[M+H-H2O]+ 241.08646 149.1
[M+HCOO]- 303.08740 171.5
[M+CH3COO]- 317.10305 198.7
[M+Na-2H]- 279.06387 157.4
[M]+ 258.08865 158.5
[M]- 258.08975 158.5
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