CID 71590616

(1r,4r,4ar,7r,8as)-7-isopropenyl-1,4a-dimethyl-decalin-1,4-diol

Structural Information

Molecular Formula
C15H26O2
SMILES
CC(=C)[C@@H]1CC[C@]2([C@@H](CC[C@@]([C@H]2C1)(C)O)O)C
InChI
InChI=1S/C15H26O2/c1-10(2)11-5-7-14(3)12(9-11)15(4,17)8-6-13(14)16/h11-13,16-17H,1,5-9H2,2-4H3/t11-,12+,13-,14-,15-/m1/s1
InChIKey
LGKGTMWCBFNQHP-XLWJZTARSA-N
Compound name
(1R,4R,4aS,6R,8aR)-4,8a-dimethyl-6-prop-1-en-2-yl-1,2,3,4a,5,6,7,8-octahydronaphthalene-1,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

238.19328 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.20056 157.8
[M+Na]+ 261.18250 162.9
[M-H]- 237.18600 158.7
[M+NH4]+ 256.22710 179.4
[M+K]+ 277.15644 159.5
[M+H-H2O]+ 221.19054 154.0
[M+HCOO]- 283.19148 169.3
[M+CH3COO]- 297.20713 190.5
[M+Na-2H]- 259.16795 159.2
[M]+ 238.19273 151.2
[M]- 238.19383 151.2
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.