CID 176515024

[(3ar,4as,5s,8as)-5,8-dimethyl-3-methylene-3a,4,4a,5,6,7-hexahydrocyclopenta[f]benzofuran-8a-yl]methanol

Structural Information

Molecular Formula
C15H22O2
SMILES
C[C@H]1CCC2=C([C@@]3([C@H](C[C@@H]12)C(=C)CO3)CO)C
InChI
InChI=1S/C15H22O2/c1-9-4-5-12-11(3)15(8-16)14(6-13(9)12)10(2)7-17-15/h9,13-14,16H,2,4-8H2,1,3H3/t9-,13-,14+,15+/m0/s1
InChIKey
HWGXTUACLWETRQ-ISGRIPCHSA-N
Compound name
[(3aR,4aS,5S,8aS)-5,8-dimethyl-3-methylidene-3a,4,4a,5,6,7-hexahydrocyclopenta[f][1]benzofuran-8a-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.16199 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.16927 155.7
[M+Na]+ 257.15121 163.7
[M-H]- 233.15471 160.2
[M+NH4]+ 252.19581 179.8
[M+K]+ 273.12515 160.0
[M+H-H2O]+ 217.15925 152.5
[M+HCOO]- 279.16019 171.6
[M+CH3COO]- 293.17584 191.0
[M+Na-2H]- 255.13666 156.6
[M]+ 234.16144 153.7
[M]- 234.16254 153.7
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.