CID 11782478

Hericenone a

Structural Information

Molecular Formula
C19H22O5
SMILES
CC(=CC(=O)C/C(=C/CC1=C(C=C2C(=C1O)COC2=O)OC)/C)C
InChI
InChI=1S/C19H22O5/c1-11(2)7-13(20)8-12(3)5-6-14-17(23-4)9-15-16(18(14)21)10-24-19(15)22/h5,7,9,21H,6,8,10H2,1-4H3/b12-5+
InChIKey
IDSCVDJWBRGNKG-LFYBBSHMSA-N
Compound name
5-[(2E)-3,7-dimethyl-5-oxoocta-2,6-dienyl]-4-hydroxy-6-methoxy-3H-2-benzofuran-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

202
Patents

330.14673 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.15401 178.2
[M+Na]+ 353.13595 187.1
[M+NH4]+ 348.18055 182.8
[M+K]+ 369.10989 184.9
[M-H]- 329.13945 178.0
[M+Na-2H]- 351.12140 177.3
[M]+ 330.14618 178.9
[M]- 330.14728 178.9
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