CID 51136563

Annosquamosin b

Structural Information

Molecular Formula
C19H32O3
SMILES
CC12CCCC(C1CCC34C2CCC(C3)C(C4)(CO)O)(C)O
InChI
InChI=1S/C19H32O3/c1-16-7-3-8-17(2,21)14(16)6-9-18-10-13(4-5-15(16)18)19(22,11-18)12-20/h13-15,20-22H,3-12H2,1-2H3
InChIKey
NICDFCNOCPZHTJ-UHFFFAOYSA-N
Compound name
14-(hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.01,10.04,9]hexadecane-5,14-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

308.23514 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.24242 176.1
[M+Na]+ 331.22436 182.5
[M+NH4]+ 326.26896 190.4
[M+K]+ 347.19830 171.0
[M-H]- 307.22786 176.5
[M+Na-2H]- 329.20981 179.0
[M]+ 308.23459 177.5
[M]- 308.23569 177.5
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

No patent data available for this compound.