CID 14482757

Schembl3134488

Structural Information

Molecular Formula
C15H16O2
SMILES
C[C@H]1CC=CC2=C1C(=C3C(=COC3=C2O)C)C
InChI
InChI=1S/C15H16O2/c1-8-5-4-6-11-12(8)10(3)13-9(2)7-17-15(13)14(11)16/h4,6-8,16H,5H2,1-3H3/t8-/m0/s1
InChIKey
FODSYHRFMKIVST-QMMMGPOBSA-N
Compound name
(5S)-3,4,5-trimethyl-5,6-dihydrobenzo[f][1]benzofuran-9-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

14
References

41
Patents

228.11504 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.12232 149.0
[M+Na]+ 251.10426 160.9
[M-H]- 227.10776 155.3
[M+NH4]+ 246.14886 170.4
[M+K]+ 267.07820 157.4
[M+H-H2O]+ 211.11230 144.2
[M+HCOO]- 273.11324 170.0
[M+CH3COO]- 287.12889 163.5
[M+Na-2H]- 249.08971 154.5
[M]+ 228.11449 153.0
[M]- 228.11559 153.0
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

patents stripe