CID 13944248

Alkhanol

Structural Information

Molecular Formula
C15H22O4
SMILES
CC1C2CCC3(C(CC(C(=C3C2OC1=O)C)O)O)C
InChI
InChI=1S/C15H22O4/c1-7-9-4-5-15(3)11(17)6-10(16)8(2)12(15)13(9)19-14(7)18/h7,9-11,13,16-17H,4-6H2,1-3H3
InChIKey
FTWSMHMWRDSQDU-UHFFFAOYSA-N
Compound name
6,8-dihydroxy-3,5a,9-trimethyl-3,3a,4,5,6,7,8,9b-octahydrobenzo[g][1]benzofuran-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

40
Patents

266.1518 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.15908 159.9
[M+Na]+ 289.14102 169.7
[M+NH4]+ 284.18562 169.3
[M+K]+ 305.11496 165.0
[M-H]- 265.14452 161.9
[M+Na-2H]- 287.12647 160.4
[M]+ 266.15125 161.8
[M]- 266.15235 161.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe