CID 14139257

Flavidulol b

Structural Information

Molecular Formula
C17H22O2
SMILES
CC(=C)C1CC2=C(C=CC(=C2CC1(C)C=C)O)OC
InChI
InChI=1S/C17H22O2/c1-6-17(4)10-13-12(9-14(17)11(2)3)16(19-5)8-7-15(13)18/h6-8,14,18H,1-2,9-10H2,3-5H3
InChIKey
PETYPULCQDOVJC-UHFFFAOYSA-N
Compound name
7-ethenyl-4-methoxy-7-methyl-6-prop-1-en-2-yl-6,8-dihydro-5H-naphthalen-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2
Patents

258.162 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.16928 159.4
[M+Na]+ 281.15122 167.3
[M-H]- 257.15472 162.7
[M+NH4]+ 276.19582 179.4
[M+K]+ 297.12516 163.0
[M+H-H2O]+ 241.15926 154.3
[M+HCOO]- 303.16020 176.6
[M+CH3COO]- 317.17585 198.5
[M+Na-2H]- 279.13667 161.6
[M]+ 258.16145 159.0
[M]- 258.16255 159.0
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

patents stripe