CID 501664

Chembl142921

Structural Information

Molecular Formula
C16H20O3
SMILES
CC(=CCCC1(CC(=O)C2=C(O1)C=C(C=C2)O)C)C
InChI
InChI=1S/C16H20O3/c1-11(2)5-4-8-16(3)10-14(18)13-7-6-12(17)9-15(13)19-16/h5-7,9,17H,4,8,10H2,1-3H3
InChIKey
PTBVFZBXBXIBGK-UHFFFAOYSA-N
Compound name
7-hydroxy-2-methyl-2-(4-methylpent-3-enyl)-3H-chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

260.14124 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.14852 159.6
[M+Na]+ 283.13046 167.2
[M-H]- 259.13396 163.4
[M+NH4]+ 278.17506 178.0
[M+K]+ 299.10440 164.6
[M+H-H2O]+ 243.13850 154.2
[M+HCOO]- 305.13944 176.4
[M+CH3COO]- 319.15509 195.8
[M+Na-2H]- 281.11591 163.8
[M]+ 260.14069 160.5
[M]- 260.14179 160.5
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

No patent data available for this compound.