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 179.1
[M+Na]+ 331.22436 184.1
[M-H]- 307.22786 178.8
[M+NH4]+ 326.26896 204.4
[M+K]+ 347.19830 178.0
[M+H-H2O]+ 291.23240 173.9
[M+HCOO]- 353.23334 184.2
[M+CH3COO]- 367.24899 186.8
[M+Na-2H]- 329.20981 181.7
[M]+ 308.23459 171.7
[M]- 308.23569 171.7
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.