CID 215348

Brn 1222203

Structural Information

Molecular Formula
C23H34O2
SMILES
CCCCCC(C)C(C)C1=CC(=C2C3=C(CCC3)C(OC2=C1)(C)C)O
InChI
InChI=1S/C23H34O2/c1-6-7-8-10-15(2)16(3)17-13-20(24)22-18-11-9-12-19(18)23(4,5)25-21(22)14-17/h13-16,24H,6-12H2,1-5H3
InChIKey
ZJNVIVRSORGHEF-UHFFFAOYSA-N
Compound name
4,4-dimethyl-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

8
Patents

342.2559 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.26318 187.1
[M+Na]+ 365.24512 198.1
[M+NH4]+ 360.28972 196.9
[M+K]+ 381.21906 190.7
[M-H]- 341.24862 190.7
[M+Na-2H]- 363.23057 189.4
[M]+ 342.25535 189.9
[M]- 342.25645 189.9
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