CID 11357032

Glandulone a

Structural Information

Molecular Formula
C15H18O3
SMILES
CC1=CC(=O)C(=CC1=O)C(C)CC/C=C(\C)/C=O
InChI
InChI=1S/C15H18O3/c1-10(9-16)5-4-6-11(2)13-8-14(17)12(3)7-15(13)18/h5,7-9,11H,4,6H2,1-3H3/b10-5+
InChIKey
RBVBEULSUHQTPE-BJMVGYQFSA-N
Compound name
(E)-2-methyl-6-(4-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)hept-2-enal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

246.1256 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.13288 157.5
[M+Na]+ 269.11482 168.5
[M+NH4]+ 264.15942 163.6
[M+K]+ 285.08876 162.7
[M-H]- 245.11832 157.7
[M+Na-2H]- 267.10027 160.6
[M]+ 246.12505 158.8
[M]- 246.12615 158.8
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.