CID 85119654

Illudin c2

Structural Information

Molecular Formula
C15H20O3
SMILES
CC1(CC2=C(C1)C(C3(CC3)C(=C)C2=O)(C)O)CO
InChI
InChI=1S/C15H20O3/c1-9-12(17)10-6-13(2,8-16)7-11(10)14(3,18)15(9)4-5-15/h16,18H,1,4-8H2,2-3H3
InChIKey
QZJXMQBEUMDWAU-UHFFFAOYSA-N
Compound name
7-hydroxy-2-(hydroxymethyl)-2,7-dimethyl-5-methylidenespiro[1,3-dihydroindene-6,1'-cyclopropane]-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

248.14125 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.14853 158.2
[M+Na]+ 271.13047 169.7
[M+NH4]+ 266.17507 170.7
[M+K]+ 287.10441 161.9
[M-H]- 247.13397 166.7
[M+Na-2H]- 269.11592 166.6
[M]+ 248.14070 163.8
[M]- 248.14180 163.8
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

patents stripe