CID 5281428

Artemorin

Structural Information

Molecular Formula
C15H20O3
SMILES
C/C/1=C\[C@@H]2[C@@H](CCC(=C)[C@@H](CC1)O)C(=C)C(=O)O2
InChI
InChI=1S/C15H20O3/c1-9-4-7-13(16)10(2)5-6-12-11(3)15(17)18-14(12)8-9/h8,12-14,16H,2-7H2,1H3/b9-8+/t12-,13+,14+/m0/s1
InChIKey
JNHKVMWTQCZYHK-CVZWCJCVSA-N
Compound name
(3aS,7R,10E,11aR)-7-hydroxy-10-methyl-3,6-dimethylidene-4,5,7,8,9,11a-hexahydro-3aH-cyclodeca[b]furan-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

130
Patents

248.14125 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.148526 153.4
[M+Na]+ 271.130468 160.9
[M-H]- 247.133974 154.7
[M+NH4]+ 266.175073 169.7
[M+K]+ 287.104408 158.5
[M+H-H2O]+ 231.138510 152.5
[M+HCOO]- 293.139451 169.2
[M+CH3COO]- 307.155101 189.3
[M+Na-2H]- 269.115916 152.5
[M]+ 248.14070142 147.7
[M]- 248.14179858 147.7
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

patents stripe