CID 132578764

Kalkipyrone b

Structural Information

Molecular Formula
C20H30O4
SMILES
CC1=C(OC(=C(C1=O)C)OC)C/C=C(\C)/CCC/C(=C/[C@@H](C)O)/C
InChI
InChI=1S/C20H30O4/c1-13(8-7-9-14(2)12-15(3)21)10-11-18-16(4)19(22)17(5)20(23-6)24-18/h10,12,15,21H,7-9,11H2,1-6H3/b13-10+,14-12+/t15-/m1/s1
InChIKey
POWDQNOFNJBGFS-FEFCGZSXSA-N
Compound name
2-[(2E,7E,9R)-9-hydroxy-3,7-dimethyldeca-2,7-dienyl]-6-methoxy-3,5-dimethylpyran-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

334.21442 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.221696 182.3
[M+Na]+ 357.203638 188.5
[M-H]- 333.207144 185.0
[M+NH4]+ 352.248243 195.0
[M+K]+ 373.177578 186.0
[M+H-H2O]+ 317.211680 175.8
[M+HCOO]- 379.212621 199.3
[M+CH3COO]- 393.228271 213.8
[M+Na-2H]- 355.189086 178.9
[M]+ 334.21387142 188.3
[M]- 334.21496858 188.3
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.