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 154.9
[M+Na]+ 245.18758 160.0
[M-H]- 221.19108 157.2
[M+NH4]+ 240.23218 176.0
[M+K]+ 261.16152 157.0
[M+H-H2O]+ 205.19562 150.3
[M+HCOO]- 267.19656 168.7
[M+CH3COO]- 281.21221 189.9
[M+Na-2H]- 243.17303 159.2
[M]+ 222.19781 150.2
[M]- 222.19891 150.2
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.