CID 165368663

Discoidol

Structural Information

Molecular Formula
C15H26O
SMILES
C[C@H]1CCCC2=CCC(C[C@@]12C)C(C)(C)O
InChI
InChI=1S/C15H26O/c1-11-6-5-7-12-8-9-13(14(2,3)16)10-15(11,12)4/h8,11,13,16H,5-7,9-10H2,1-4H3/t11-,13?,15-/m0/s1
InChIKey
KEBVXBNFLKYWDP-BJLZJLDMSA-N
Compound name
2-[(8S,8aS)-8,8a-dimethyl-2,3,5,6,7,8-hexahydro-1H-naphthalen-2-yl]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.19836 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.20564 154.5
[M+Na]+ 245.18758 165.2
[M+NH4]+ 240.23218 165.3
[M+K]+ 261.16152 156.8
[M-H]- 221.19108 156.7
[M+Na-2H]- 243.17303 159.8
[M]+ 222.19781 156.9
[M]- 222.19891 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

literature stripe

Patent stripe

No patent data available for this compound.