CID 3043631

Brn 1593641

Structural Information

Molecular Formula
C24H36O2
SMILES
CCCCCC(C)C(C)C1=CC(=C2C(=C1)OC(C3=C2C(CC3)C)(C)C)O
InChI
InChI=1S/C24H36O2/c1-7-8-9-10-15(2)17(4)18-13-20(25)23-21(14-18)26-24(5,6)19-12-11-16(3)22(19)23/h13-17,25H,7-12H2,1-6H3
InChIKey
MSUHGDQBGRIICK-UHFFFAOYSA-N
Compound name
1,4,4-trimethyl-7-(3-methyloctan-2-yl)-2,3-dihydro-1H-cyclopenta[c]chromen-9-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

356.27155 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.27883 193.2
[M+Na]+ 379.26077 199.3
[M-H]- 355.26427 197.2
[M+NH4]+ 374.30537 210.8
[M+K]+ 395.23471 195.2
[M+H-H2O]+ 339.26881 187.6
[M+HCOO]- 401.26975 205.8
[M+CH3COO]- 415.28540 220.6
[M+Na-2H]- 377.24622 190.6
[M]+ 356.27100 196.2
[M]- 356.27210 196.2
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