CID 102515206

Isotrichotriol

Structural Information

Molecular Formula
C15H24O4
SMILES
CC1=CC([C@@](CC1)(C)[C@]2(CC(C(C23CO3)O)O)C)O
InChI
InChI=1S/C15H24O4/c1-9-4-5-13(2,11(17)6-9)14(3)7-10(16)12(18)15(14)8-19-15/h6,10-12,16-18H,4-5,7-8H2,1-3H3/t10?,11?,12?,13-,14+,15?/m0/s1
InChIKey
WGOGDSNCSQGSSF-ZLMXSUKOSA-N
Compound name
(4R)-4-[(1R)-2-hydroxy-1,4-dimethylcyclohex-3-en-1-yl]-4-methyl-1-oxaspiro[2.4]heptane-6,7-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

268.16745 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.17473 161.3
[M+Na]+ 291.15667 172.3
[M+NH4]+ 286.20127 173.3
[M+K]+ 307.13061 166.1
[M-H]- 267.16017 172.0
[M+Na-2H]- 289.14212 170.5
[M]+ 268.16690 167.4
[M]- 268.16800 167.4
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

No patent data available for this compound.