CID 75969210

Annoglabasin e

Structural Information

Molecular Formula
C20H32O3
SMILES
CC1(CCCC2(C1CCC34C2CCC(C3)C(C4)C(=O)O)C)CO
InChI
InChI=1S/C20H32O3/c1-18(12-21)7-3-8-19(2)15(18)6-9-20-10-13(4-5-16(19)20)14(11-20)17(22)23/h13-16,21H,3-12H2,1-2H3,(H,22,23)
InChIKey
LKXILSFITASWCO-UHFFFAOYSA-N
Compound name
5-(hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.01,10.04,9]hexadecane-14-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.23514 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.24242 181.9
[M+Na]+ 343.22436 185.4
[M-H]- 319.22786 182.3
[M+NH4]+ 338.26896 205.3
[M+K]+ 359.19830 179.9
[M+H-H2O]+ 303.23240 176.4
[M+HCOO]- 365.23334 187.3
[M+CH3COO]- 379.24899 189.3
[M+Na-2H]- 341.20981 182.1
[M]+ 320.23459 174.4
[M]- 320.23569 174.4
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.