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 178.4
[M+Na]+ 337.21380 185.5
[M-H]- 313.21730 182.5
[M+NH4]+ 332.25840 195.9
[M+K]+ 353.18774 181.4
[M+H-H2O]+ 297.22184 171.4
[M+HCOO]- 359.22278 191.9
[M+CH3COO]- 373.23843 210.5
[M+Na-2H]- 335.19925 181.2
[M]+ 314.22403 179.4
[M]- 314.22513 179.4
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.