CID 13995419

3a-(hydroxymethyl)-6,8a,8b-trimethyl-1,2,3,4a,7,8-hexahydrocyclopenta[b][1]benzofuran-2-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 158.2
[M+Na]+ 275.16177 166.7
[M-H]- 251.16527 161.6
[M+NH4]+ 270.20637 184.6
[M+K]+ 291.13571 163.3
[M+H-H2O]+ 235.16981 155.9
[M+HCOO]- 297.17075 172.6
[M+CH3COO]- 311.18640 189.9
[M+Na-2H]- 273.14722 162.2
[M]+ 252.17200 157.3
[M]- 252.17310 157.3
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