CID 163039392

[(3as,5as,9as,9br)-6,6,9a-trimethyl-2,4,5,5a,7,8,9,9b-octahydro-1h-benzo[e][1]benzofuran-3a-yl]methanol

Structural Information

Molecular Formula
C16H28O2
SMILES
C[C@]12CCCC([C@@H]1CC[C@]3([C@@H]2CCO3)CO)(C)C
InChI
InChI=1S/C16H28O2/c1-14(2)7-4-8-15(3)12(14)5-9-16(11-17)13(15)6-10-18-16/h12-13,17H,4-11H2,1-3H3/t12-,13+,15-,16+/m0/s1
InChIKey
HGYQFVDPPWYBER-LQKXBSAESA-N
Compound name
[(3aS,5aS,9aS,9bR)-6,6,9a-trimethyl-2,4,5,5a,7,8,9,9b-octahydro-1H-benzo[e][1]benzofuran-3a-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.20892 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.216196 161.4
[M+Na]+ 275.198138 167.2
[M-H]- 251.201644 164.8
[M+NH4]+ 270.242743 186.3
[M+K]+ 291.172078 164.4
[M+H-H2O]+ 235.206180 156.8
[M+HCOO]- 297.207121 173.1
[M+CH3COO]- 311.222771 172.1
[M+Na-2H]- 273.183586 165.7
[M]+ 252.20837142 156.9
[M]- 252.20946858 156.9
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.