CID 5318562

Isoeugenitol

Structural Information

Molecular Formula
C11H10O4
SMILES
CC1=CC(=O)C2=C(C=C(C(=C2O1)C)O)O
InChI
InChI=1S/C11H10O4/c1-5-3-8(13)10-9(14)4-7(12)6(2)11(10)15-5/h3-4,12,14H,1-2H3
InChIKey
XSSGQRFNGHRFBC-UHFFFAOYSA-N
Compound name
5,7-dihydroxy-2,8-dimethylchromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

13
Patents

206.0579 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.06518 139.7
[M+Na]+ 229.04712 154.6
[M+NH4]+ 224.09172 147.6
[M+K]+ 245.02106 149.4
[M-H]- 205.05062 142.6
[M+Na-2H]- 227.03257 144.8
[M]+ 206.05735 142.7
[M]- 206.05845 142.7
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