CID 11253859

Lucidone

Structural Information

Molecular Formula
C15H12O4
SMILES
COC1=CC(=O)C(=C1O)C(=O)/C=C/C2=CC=CC=C2
InChI
InChI=1S/C15H12O4/c1-19-13-9-12(17)14(15(13)18)11(16)8-7-10-5-3-2-4-6-10/h2-9,18H,1H3/b8-7+
InChIKey
ANPTXNYQLGJVRE-BQYQJAHWSA-N
Compound name
3-hydroxy-4-methoxy-2-[(E)-3-phenylprop-2-enoyl]cyclopenta-2,4-dien-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

12
References

100
Patents

256.07355 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.08083 155.2
[M+Na]+ 279.06277 164.0
[M-H]- 255.06627 161.4
[M+NH4]+ 274.10737 173.4
[M+K]+ 295.03671 160.2
[M+H-H2O]+ 239.07081 149.0
[M+HCOO]- 301.07175 179.0
[M+CH3COO]- 315.08740 191.8
[M+Na-2H]- 277.04822 156.7
[M]+ 256.07300 157.7
[M]- 256.07410 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