CID 28012

16720-05-1

Structural Information

Molecular Formula
C21H30O2
SMILES
CCCCCCC1=CC2=C(C=C1O)OC(C3=C2CCCC3)(C)C
InChI
InChI=1S/C21H30O2/c1-4-5-6-7-10-15-13-17-16-11-8-9-12-18(16)21(2,3)23-20(17)14-19(15)22/h13-14,22H,4-12H2,1-3H3
InChIKey
LTKDQQKMLKFYNJ-UHFFFAOYSA-N
Compound name
2-hexyl-6,6-dimethyl-7,8,9,10-tetrahydrobenzo[c]chromen-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.22458 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.23186 178.6
[M+Na]+ 337.21380 191.9
[M+NH4]+ 332.25840 189.3
[M+K]+ 353.18774 181.1
[M-H]- 313.21730 183.5
[M+Na-2H]- 335.19925 183.2
[M]+ 314.22403 182.2
[M]- 314.22513 182.2
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.