CID 108295

54957-39-0

Structural Information

Molecular Formula
C21H30O2
SMILES
CCCCCC1=C2C3C=C(CCC3C(OC2=CC(=C1)O)(C)C)C
InChI
InChI=1S/C21H30O2/c1-5-6-7-8-15-12-16(22)13-19-20(15)17-11-14(2)9-10-18(17)21(3,4)23-19/h11-13,17-18,22H,5-10H2,1-4H3
InChIKey
SBDHCUZETSWOAX-UHFFFAOYSA-N
Compound name
6,6,9-trimethyl-1-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.22458 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.23186 178.2
[M+Na]+ 337.21380 191.9
[M+NH4]+ 332.25840 188.9
[M+K]+ 353.18774 181.3
[M-H]- 313.21730 183.2
[M+Na-2H]- 335.19925 182.6
[M]+ 314.22403 181.9
[M]- 314.22513 181.9
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.