CID 11778953

Omphamurin

Structural Information

Molecular Formula
C16H18O5
SMILES
CC(=C)C(CC1=C(C=C(C2=C1OC(=O)C=C2)OC)OC)O
InChI
InChI=1S/C16H18O5/c1-9(2)12(17)7-11-14(20-4)8-13(19-3)10-5-6-15(18)21-16(10)11/h5-6,8,12,17H,1,7H2,2-4H3
InChIKey
NUABNGXDPYIGQM-UHFFFAOYSA-N
Compound name
8-(2-hydroxy-3-methylbut-3-enyl)-5,7-dimethoxychromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

290.11542 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.12270 163.6
[M+Na]+ 313.10464 172.3
[M-H]- 289.10814 168.1
[M+NH4]+ 308.14924 178.7
[M+K]+ 329.07858 171.1
[M+H-H2O]+ 273.11268 157.1
[M+HCOO]- 335.11362 182.6
[M+CH3COO]- 349.12927 202.9
[M+Na-2H]- 311.09009 166.7
[M]+ 290.11487 169.8
[M]- 290.11597 169.8
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.