CID 615515

13383-59-0

Structural Information

Molecular Formula
C15H14O4
SMILES
CC1COC2=C(C(=O)C(=O)C3=C2C1=C(C=C3C)O)C
InChI
InChI=1S/C15H14O4/c1-6-4-9(16)10-7(2)5-19-15-8(3)13(17)14(18)11(6)12(10)15/h4,7,16H,5H2,1-3H3
InChIKey
VMUMUNGCHYCMDR-UHFFFAOYSA-N
Compound name
6-hydroxy-4,8,12-trimethyl-2-oxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13)-tetraene-10,11-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

6
Patents

258.0892 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.09648 154.6
[M+Na]+ 281.07842 165.4
[M-H]- 257.08192 159.8
[M+NH4]+ 276.12302 173.0
[M+K]+ 297.05236 162.9
[M+H-H2O]+ 241.08646 148.9
[M+HCOO]- 303.08740 171.1
[M+CH3COO]- 317.10305 199.9
[M+Na-2H]- 279.06387 159.2
[M]+ 258.08865 157.7
[M]- 258.08975 157.7
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