CID 482790

(1s,2s,4ar,5r,8as)-2-(2-hydroxy-1-methyl-ethyl)-4a-methyl-8-methylene-decalin-1,5-diol

Structural Information

Molecular Formula
C15H26O3
SMILES
CC(CO)[C@@H]1CC[C@]2([C@@H](CCC(=C)[C@@H]2[C@H]1O)O)C
InChI
InChI=1S/C15H26O3/c1-9-4-5-12(17)15(3)7-6-11(10(2)8-16)14(18)13(9)15/h10-14,16-18H,1,4-8H2,2-3H3/t10?,11-,12+,13+,14-,15-/m0/s1
InChIKey
UQYJFDGQBNCHHB-LRUZOGJLSA-N
Compound name
(1S,2S,4aR,5R,8aS)-2-(1-hydroxypropan-2-yl)-4a-methyl-8-methylidene-1,2,3,4,5,6,7,8a-octahydronaphthalene-1,5-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

254.1882 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.19548 161.7
[M+Na]+ 277.17742 166.2
[M-H]- 253.18092 161.1
[M+NH4]+ 272.22202 180.2
[M+K]+ 293.15136 162.4
[M+H-H2O]+ 237.18546 157.6
[M+HCOO]- 299.18640 171.9
[M+CH3COO]- 313.20205 191.9
[M+Na-2H]- 275.16287 161.0
[M]+ 254.18765 154.8
[M]- 254.18875 154.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.