CID 102515387

Isotrichodermol

Structural Information

Molecular Formula
C15H22O3
SMILES
CC1=CC2[C@](CC1)([C@]3(C[C@H](C(C34CO4)O2)O)C)C
InChI
InChI=1S/C15H22O3/c1-9-4-5-13(2)11(6-9)18-12-10(16)7-14(13,3)15(12)8-17-15/h6,10-12,16H,4-5,7-8H2,1-3H3/t10-,11?,12?,13+,14-,15?/m1/s1
InChIKey
ICJDGHMOMSQSLB-WATQRLBISA-N
Compound name
(1R,2R,10R)-1,2,5-trimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-10-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

1
Patents

250.15689 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.16417 157.8
[M+Na]+ 273.14611 170.4
[M+NH4]+ 268.19071 172.2
[M+K]+ 289.12005 162.6
[M-H]- 249.14961 170.2
[M+Na-2H]- 271.13156 165.3
[M]+ 250.15634 164.9
[M]- 250.15744 164.9
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

No patent data available for this compound.