CID 344199

Illudin m

Structural Information

Molecular Formula
C15H20O3
SMILES
CC1=C2[C@H](C(C=C2C(=O)[C@](C13CC3)(C)O)(C)C)O
InChI
InChI=1S/C15H20O3/c1-8-10-9(7-13(2,3)12(10)17)11(16)14(4,18)15(8)5-6-15/h7,12,17-18H,5-6H2,1-4H3/t12-,14+/m1/s1
InChIKey
QVMDIQLUNODCTG-OCCSQVGLSA-N
Compound name
(1S,5R)-1,5-dihydroxy-2,2,5,7-tetramethylspiro[1H-indene-6,1'-cyclopropane]-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

19
References

183
Patents

248.14125 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.14853 156.4
[M+Na]+ 271.13047 169.1
[M+NH4]+ 266.17507 169.3
[M+K]+ 287.10441 161.4
[M-H]- 247.13397 165.4
[M+Na-2H]- 269.11592 165.7
[M]+ 248.14070 162.4
[M]- 248.14180 162.4
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