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 180.8
[M+Na]+ 355.18798 188.1
[M-H]- 331.19148 182.7
[M+NH4]+ 350.23258 196.3
[M+K]+ 371.16192 184.2
[M+H-H2O]+ 315.19602 174.7
[M+HCOO]- 377.19696 191.9
[M+CH3COO]- 391.21261 208.8
[M+Na-2H]- 353.17343 183.2
[M]+ 332.19821 181.5
[M]- 332.19931 181.5
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.