CID 13995419

6-(hydroxymethyl)-1,2,10-trimethyl-7-oxatricyclo[6.4.0.0^{2,6}]dodec-9-en-4-ol

Structural Information

Molecular Formula
C15H24O3
SMILES
CC1=CC2C(CC1)(C3(CC(CC3(O2)CO)O)C)C
InChI
InChI=1S/C15H24O3/c1-10-4-5-13(2)12(6-10)18-15(9-16)8-11(17)7-14(13,15)3/h6,11-12,16-17H,4-5,7-9H2,1-3H3
InChIKey
LRGJZQCUGTZKGE-UHFFFAOYSA-N
Compound name
3a-(hydroxymethyl)-6,8a,8b-trimethyl-1,2,3,4a,7,8-hexahydrocyclopenta[b][1]benzofuran-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

252.17255 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.17983 156.6
[M+Na]+ 275.16177 164.6
[M+NH4]+ 270.20637 169.3
[M+K]+ 291.13571 157.8
[M-H]- 251.16527 158.3
[M+Na-2H]- 273.14722 160.4
[M]+ 252.17200 158.5
[M]- 252.17310 158.5
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

patents stripe