CID 5317654

Glandulone c

Structural Information

Molecular Formula
C15H20O3
SMILES
CC1=CC(C(=CC1=O)C(C)CC/C=C(\C)/C=O)O
InChI
InChI=1S/C15H20O3/c1-10(9-16)5-4-6-11(2)13-8-14(17)12(3)7-15(13)18/h5,7-9,11,15,18H,4,6H2,1-3H3/b10-5+
InChIKey
UZLYFZDXWGWUGA-BJMVGYQFSA-N
Compound name
(E)-6-(6-hydroxy-4-methyl-3-oxocyclohexa-1,4-dien-1-yl)-2-methylhept-2-enal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.14125 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.14853 159.1
[M+Na]+ 271.13047 169.5
[M+NH4]+ 266.17507 165.1
[M+K]+ 287.10441 164.1
[M-H]- 247.13397 159.0
[M+Na-2H]- 269.11592 161.7
[M]+ 248.14070 160.2
[M]- 248.14180 160.2
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.