CID 14137570

Voleneol

Structural Information

Molecular Formula
C15H26O2
SMILES
CC(C)[C@@H]1CC[C@]2([C@@H](CCC(=C)[C@@H]2[C@H]1O)O)C
InChI
InChI=1S/C15H26O2/c1-9(2)11-7-8-15(4)12(16)6-5-10(3)13(15)14(11)17/h9,11-14,16-17H,3,5-8H2,1-2,4H3/t11-,12+,13+,14-,15-/m0/s1
InChIKey
WKKJGHCXVKEJNU-QRTUWBSPSA-N
Compound name
(1S,2S,4aR,5R,8aS)-4a-methyl-8-methylidene-2-propan-2-yl-1,2,3,4,5,6,7,8a-octahydronaphthalene-1,5-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

3
Patents

238.19328 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.200556 157.8
[M+Na]+ 261.182498 162.8
[M-H]- 237.186004 158.7
[M+NH4]+ 256.227103 177.7
[M+K]+ 277.156438 159.2
[M+H-H2O]+ 221.190540 153.6
[M+HCOO]- 283.191481 169.3
[M+CH3COO]- 297.207131 192.1
[M+Na-2H]- 259.167946 157.4
[M]+ 238.19273142 151.1
[M]- 238.19382858 151.1
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

patents stripe