CID 13918461

Armexifolin

Structural Information

Molecular Formula
C15H18O4
SMILES
CC1=C2C3C(CCC2(C(CC1=O)O)C)C(=C)C(=O)O3
InChI
InChI=1S/C15H18O4/c1-7-9-4-5-15(3)11(17)6-10(16)8(2)12(15)13(9)19-14(7)18/h9,11,13,17H,1,4-6H2,2-3H3
InChIKey
QPXLDBMZJNDASA-UHFFFAOYSA-N
Compound name
6-hydroxy-5a,9-dimethyl-3-methylidene-3a,4,5,6,7,9b-hexahydrobenzo[g][1]benzofuran-2,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

262.1205 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.12778 158.3
[M+Na]+ 285.10972 168.6
[M+NH4]+ 280.15432 167.5
[M+K]+ 301.08366 163.5
[M-H]- 261.11322 160.3
[M+Na-2H]- 283.09517 159.1
[M]+ 262.11995 160.2
[M]- 262.12105 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

patents stripe