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 156.1
[M+Na]+ 291.15667 165.5
[M-H]- 267.16017 163.0
[M+NH4]+ 286.20127 173.0
[M+K]+ 307.13061 164.2
[M+H-H2O]+ 251.16471 154.3
[M+HCOO]- 313.16565 169.4
[M+CH3COO]- 327.18130 193.1
[M+Na-2H]- 289.14212 159.9
[M]+ 268.16690 157.4
[M]- 268.16800 157.4
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.