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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	291.122696	163.6
[M+Na]+	313.104638	172.3
[M-H]-	289.108144	168.1
[M+NH4]+	308.149243	178.7
[M+K]+	329.078578	171.1
[M+H-H2O]+	273.112680	157.1
[M+HCOO]-	335.113621	182.6
[M+CH3COO]-	349.129271	202.9
[M+Na-2H]-	311.090086	166.7
[M]+	290.11487142	169.8
[M]-	290.11596858	169.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.