CID 5283268

Gummiferol

Structural Information

Molecular Formula
C16H14O5
SMILES
CC(=O)OC/C=C/C1C(O1)C2C(O2)C#CC#CC#CCO
InChI
InChI=1S/C16H14O5/c1-12(18)19-11-7-9-14-16(21-14)15-13(20-15)8-5-3-2-4-6-10-17/h7,9,13-17H,10-11H2,1H3/b9-7+
InChIKey
CVFDUGAXSFOYQC-VQHVLOKHSA-N
Compound name
[(E)-3-[3-[3-(7-hydroxyhepta-1,3,5-triynyl)oxiran-2-yl]oxiran-2-yl]prop-2-enyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

286.08414 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.09142 153.2
[M+Na]+ 309.07336 172.2
[M-H]- 285.07686 162.1
[M+NH4]+ 304.11796 159.7
[M+K]+ 325.04730 162.5
[M+H-H2O]+ 269.08140 149.4
[M+HCOO]- 331.08234 159.9
[M+CH3COO]- 345.09799 236.7
[M+Na-2H]- 307.05881 156.6
[M]+ 286.08359 154.8
[M]- 286.08469 154.8
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

No patent data available for this compound.