CID 4612168

6-methoxy-3,4-dihydro-2h-1-benzopyran-4-one

Structural Information

Molecular Formula

C₁₀H₁₀O₃

SMILES

COC1=CC2=C(C=C1)OCCC2=O

InChI

InChI=1S/C10H10O3/c1-12-7-2-3-10-8(6-7)9(11)4-5-13-10/h2-3,6H,4-5H2,1H3

InChIKey

LQIYOSKKKUPTRP-UHFFFAOYSA-N

Compound name

6-methoxy-2,3-dihydrochromen-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 264
Patents: 178.06299 Da
Monoisotopic Mass: 1.3
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	132.7
[M+Na]+	201.05221	141.3
[M-H]-	177.05571	138.1
[M+NH4]+	196.09681	152.8
[M+K]+	217.02615	140.8
[M+H-H2O]+	161.06025	127.0
[M+HCOO]-	223.06119	154.0
[M+CH3COO]-	237.07684	180.0
[M+Na-2H]-	199.03766	141.4
[M]+	178.06244	134.0
[M]-	178.06354	134.0

Literature stripe

literature stripe

Patent stripe

patents stripe