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]+ 239.200556 157.8
[M+Na]+ 261.182498 162.9
[M-H]- 237.186004 158.7
[M+NH4]+ 256.227103 179.4
[M+K]+ 277.156438 159.5
[M+H-H2O]+ 221.190540 154.0
[M+HCOO]- 283.191481 169.3
[M+CH3COO]- 297.207131 190.5
[M+Na-2H]- 259.167946 159.2
[M]+ 238.19273142 151.2
[M]- 238.19382858 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

literature stripe

Patent stripe

No patent data available for this compound.