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]+ 233.153606 150.6
[M+Na]+ 255.135548 158.0
[M-H]- 231.139054 154.8
[M+NH4]+ 250.180153 172.1
[M+K]+ 271.109488 154.8
[M+H-H2O]+ 215.143590 145.8
[M+HCOO]- 277.144531 167.2
[M+CH3COO]- 291.160181 195.0
[M+Na-2H]- 253.120996 152.4
[M]+ 232.14578142 147.7
[M]- 232.14687858 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.