CID 364109

Dehydroiso-alpha-lapachone

Structural Information

Molecular Formula
C15H12O3
SMILES
CC(=C)C1CC2=C(O1)C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C15H12O3/c1-8(2)12-7-11-13(16)9-5-3-4-6-10(9)14(17)15(11)18-12/h3-6,12H,1,7H2,2H3
InChIKey
ZDMOREUAQLXRCQ-UHFFFAOYSA-N
Compound name
2-prop-1-en-2-yl-2,3-dihydrobenzo[f][1]benzofuran-4,9-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

3
Patents

240.07864 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.08592 150.3
[M+Na]+ 263.06786 160.0
[M-H]- 239.07136 156.9
[M+NH4]+ 258.11246 170.9
[M+K]+ 279.04180 156.9
[M+H-H2O]+ 223.07590 145.3
[M+HCOO]- 285.07684 169.6
[M+CH3COO]- 299.09249 194.5
[M+Na-2H]- 261.05331 154.0
[M]+ 240.07809 151.5
[M]- 240.07919 151.5
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