CID 131752565

Flavidulol a

Structural Information

Molecular Formula
C17H22O2
SMILES
C/C/1=C/CC2=C(C=CC(=C2C/C(=C\CC1)/C)O)OC
InChI
InChI=1S/C17H22O2/c1-12-5-4-6-13(2)11-15-14(8-7-12)17(19-3)10-9-16(15)18/h6-7,9-10,18H,4-5,8,11H2,1-3H3/b12-7-,13-6-
InChIKey
SZKZGGBNARQQFB-HWBZFXJUSA-N
Compound name
(6Z,10Z)-4-methoxy-7,11-dimethyl-5,8,9,12-tetrahydrobenzo[10]annulen-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

258.162 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.16928 158.0
[M+Na]+ 281.15122 166.0
[M-H]- 257.15472 159.0
[M+NH4]+ 276.19582 173.5
[M+K]+ 297.12516 163.0
[M+H-H2O]+ 241.15926 155.1
[M+HCOO]- 303.16020 176.9
[M+CH3COO]- 317.17585 193.2
[M+Na-2H]- 279.13667 160.8
[M]+ 258.16145 156.1
[M]- 258.16255 156.1
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.