CID 122706294

(4r)-4-[(1r)-2,4-dihydroxy-1,4-dimethylcyclohexyl]-4-methyl-1-oxaspiro[2.4]heptane-6,7-diol

Structural Information

Molecular Formula
C15H26O5
SMILES
C[C@@]1(CCC(CC1O)(C)O)[C@]2(CC(C(C23CO3)O)O)C
InChI
InChI=1S/C15H26O5/c1-12(19)4-5-13(2,10(17)7-12)14(3)6-9(16)11(18)15(14)8-20-15/h9-11,16-19H,4-8H2,1-3H3/t9?,10?,11?,12?,13-,14+,15?/m0/s1
InChIKey
RVVHFCQZGLCNHT-WPGIIJABSA-N
Compound name
(4R)-4-[(1R)-2,4-dihydroxy-1,4-dimethylcyclohexyl]-4-methyl-1-oxaspiro[2.4]heptane-6,7-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

286.178 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.18528 159.6
[M+Na]+ 309.16722 168.4
[M-H]- 285.17072 165.0
[M+NH4]+ 304.21182 176.9
[M+K]+ 325.14116 167.9
[M+H-H2O]+ 269.17526 159.6
[M+HCOO]- 331.17620 169.7
[M+CH3COO]- 345.19185 193.8
[M+Na-2H]- 307.15267 163.9
[M]+ 286.17745 160.4
[M]- 286.17855 160.4
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.