CID 12315016

Trichodermol

Structural Information

Molecular Formula
C15H22O3
SMILES
CC1=C[C@@H]2[C@](CC1)([C@]3([C@@H](C[C@H]([C@@]34CO4)O2)O)C)C
InChI
InChI=1S/C15H22O3/c1-9-4-5-13(2)11(6-9)18-12-7-10(16)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
XSUVNTHNQMGPIL-LACSLYJWSA-N
Compound name
(1S,2R,7R,9R,11R,12S)-1,2,5-trimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-11-ol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

79
References

274
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 155.5
[M+Na]+ 273.14611 165.7
[M-H]- 249.14961 162.8
[M+NH4]+ 268.19071 175.0
[M+K]+ 289.12005 165.6
[M+H-H2O]+ 233.15415 151.7
[M+HCOO]- 295.15509 166.6
[M+CH3COO]- 309.17074 167.7
[M+Na-2H]- 271.13156 162.7
[M]+ 250.15634 159.0
[M]- 250.15744 159.0
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