CID 76573

Eucalyptin

Structural Information

Molecular Formula
C19H18O5
SMILES
CC1=C(C2=C(C(=C1OC)C)OC(=CC2=O)C3=CC=C(C=C3)OC)O
InChI
InChI=1S/C19H18O5/c1-10-17(21)16-14(20)9-15(12-5-7-13(22-3)8-6-12)24-19(16)11(2)18(10)23-4/h5-9,21H,1-4H3
InChIKey
NHMMAMIRMITGRD-UHFFFAOYSA-N
Compound name
5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-6,8-dimethylchromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

175
Patents

326.11542 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.12270 173.9
[M+Na]+ 349.10464 185.5
[M-H]- 325.10814 182.6
[M+NH4]+ 344.14924 188.0
[M+K]+ 365.07858 183.1
[M+H-H2O]+ 309.11268 165.9
[M+HCOO]- 371.11362 194.9
[M+CH3COO]- 385.12927 210.8
[M+Na-2H]- 347.09009 177.8
[M]+ 326.11487 181.5
[M]- 326.11597 181.5
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