CID 6476408

6-[(1e)-buta-1,3-dienyl]-4-methoxy-pyran-2-one

Structural Information

Molecular Formula

C₁₀H₁₀O₃

SMILES

COC1=CC(=O)OC(=C1)/C=C/C=C

InChI

InChI=1S/C10H10O3/c1-3-4-5-8-6-9(12-2)7-10(11)13-8/h3-7H,1H2,2H3/b5-4+

InChIKey

FWHHUGFUPIKHPB-SNAWJCMRSA-N

Compound name

6-[(1E)-buta-1,3-dienyl]-4-methoxypyran-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 178.06299 Da
Monoisotopic Mass: 1.9
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]+	179.07027	133.0
[M+Na]+	201.05221	142.9
[M-H]-	177.05571	138.0
[M+NH4]+	196.09681	152.4
[M+K]+	217.02615	141.5
[M+H-H2O]+	161.06025	127.5
[M+HCOO]-	223.06119	157.7
[M+CH3COO]-	237.07684	179.5
[M+Na-2H]-	199.03766	140.5
[M]+	178.06244	136.9
[M]-	178.06354	136.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.