CID 155804790

Fv3e92d97v

Structural Information

Molecular Formula
C20H28O4
SMILES
CCCCCC1=CC(=C2C(=C1)OC(C3=C2[C@@H]([C@H](CC3)O)O)(C)C)O
InChI
InChI=1S/C20H28O4/c1-4-5-6-7-12-10-15(22)18-16(11-12)24-20(2,3)13-8-9-14(21)19(23)17(13)18/h10-11,14,19,21-23H,4-9H2,1-3H3/t14-,19+/m0/s1
InChIKey
MKLGOBHFQLDLCE-IFXJQAMLSA-N
Compound name
(9S,10S)-6,6-dimethyl-3-pentyl-7,8,9,10-tetrahydrobenzo[c]chromene-1,9,10-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.19876 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.20604 180.2
[M+Na]+ 355.18798 192.3
[M+NH4]+ 350.23258 189.1
[M+K]+ 371.16192 183.9
[M-H]- 331.19148 183.2
[M+Na-2H]- 353.17343 182.6
[M]+ 332.19821 183.0
[M]- 332.19931 183.0
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

No patent data available for this compound.