CID 24837517

Brn 5099484

Structural Information

Molecular Formula
C21H32O4
SMILES
CC(CCCOC)C1=CC(=C2C3CC(CCC3C(OC2=C1)(C)C)O)O
InChI
InChI=1S/C21H32O4/c1-13(6-5-9-24-4)14-10-18(23)20-16-12-15(22)7-8-17(16)21(2,3)25-19(20)11-14/h10-11,13,15-17,22-23H,5-9,12H2,1-4H3
InChIKey
DZZSVRWMAMBFQX-UHFFFAOYSA-N
Compound name
3-(5-methoxypentan-2-yl)-6,6-dimethyl-6a,7,8,9,10,10a-hexahydrobenzo[c]chromene-1,9-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.23007 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.237346 186.2
[M+Na]+ 371.219288 191.2
[M-H]- 347.222794 188.4
[M+NH4]+ 366.263893 201.2
[M+K]+ 387.193228 188.5
[M+H-H2O]+ 331.227330 179.6
[M+HCOO]- 393.228271 195.9
[M+CH3COO]- 407.243921 213.9
[M+Na-2H]- 369.204736 186.9
[M]+ 348.22952142 186.4
[M]- 348.23061858 186.4
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.