CID 171121098

Selina-4(14),11-dien-7-ol

Structural Information

Molecular Formula
C15H24O2
SMILES
CC(=C)[C@]1(C[C@H]2C(=C)CCC[C@@]2([C@@H](C1)O)C)O
InChI
InChI=1S/C15H24O2/c1-10(2)15(17)8-12-11(3)6-5-7-14(12,4)13(16)9-15/h12-13,16-17H,1,3,5-9H2,2,4H3/t12-,13+,14-,15+/m0/s1
InChIKey
HXYPZVCIEXGKAX-LJISPDSOSA-N
Compound name
(1R,3R,4aS,8aS)-8a-methyl-5-methylidene-3-prop-1-en-2-yl-2,4,4a,6,7,8-hexahydro-1H-naphthalene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.17763 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.18491 156.3
[M+Na]+ 259.16685 161.7
[M-H]- 235.17035 157.2
[M+NH4]+ 254.21145 177.9
[M+K]+ 275.14079 157.6
[M+H-H2O]+ 219.17489 152.6
[M+HCOO]- 281.17583 168.0
[M+CH3COO]- 295.19148 189.7
[M+Na-2H]- 257.15230 157.8
[M]+ 236.17708 148.9
[M]- 236.17818 148.9
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.