CID 131751741

1(10),11-eremophiladiene-2,9-dione

Structural Information

Molecular Formula
C15H20O2
SMILES
CC1CC(=O)C=C2C1(CC(CC2=O)C(=C)C)C
InChI
InChI=1S/C15H20O2/c1-9(2)11-6-14(17)13-7-12(16)5-10(3)15(13,4)8-11/h7,10-11H,1,5-6,8H2,2-4H3
InChIKey
CEDQTRQWBOXWOT-UHFFFAOYSA-N
Compound name
4a,5-dimethyl-3-prop-1-en-2-yl-3,4,5,6-tetrahydro-2H-naphthalene-1,7-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.14633 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.15361 150.6
[M+Na]+ 255.13555 158.0
[M-H]- 231.13905 154.8
[M+NH4]+ 250.18015 172.1
[M+K]+ 271.10949 154.8
[M+H-H2O]+ 215.14359 145.8
[M+HCOO]- 277.14453 167.2
[M+CH3COO]- 291.16018 195.0
[M+Na-2H]- 253.12100 152.4
[M]+ 232.14578 147.7
[M]- 232.14688 147.7
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

No patent data available for this compound.