CID 5036604

Eugenitol

Structural Information

Molecular Formula
C11H10O4
SMILES
CC1=CC(=O)C2=C(O1)C=C(C(=C2O)C)O
InChI
InChI=1S/C11H10O4/c1-5-3-8(13)10-9(15-5)4-7(12)6(2)11(10)14/h3-4,12,14H,1-2H3
InChIKey
HMAUJNAGOIPKDG-UHFFFAOYSA-N
Compound name
5,7-dihydroxy-2,6-dimethylchromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

11
Patents

206.0579 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.065176 138.7
[M+Na]+ 229.047118 150.7
[M-H]- 205.050624 143.1
[M+NH4]+ 224.091723 157.3
[M+K]+ 245.021058 148.6
[M+H-H2O]+ 189.055160 133.7
[M+HCOO]- 251.056101 159.6
[M+CH3COO]- 265.071751 183.4
[M+Na-2H]- 227.032566 145.7
[M]+ 206.05735142 142.3
[M]- 206.05844858 142.3
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

patents stripe