CID 12651

4-methoxy-6-methyl-2h-pyran-2-one

Structural Information

Molecular Formula

C₇H₈O₃

SMILES

CC1=CC(=CC(=O)O1)OC

InChI

InChI=1S/C7H8O3/c1-5-3-6(9-2)4-7(8)10-5/h3-4H,1-2H3

InChIKey

MTZAUZNQAMNFME-UHFFFAOYSA-N

Compound name

4-methoxy-6-methylpyran-2-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 81
Patents: 140.04735 Da
Monoisotopic Mass: 0.8
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]+	141.05463	122.9
[M+Na]+	163.03657	137.1
[M+NH4]+	158.08117	131.4
[M+K]+	179.01051	131.7
[M-H]-	139.04007	126.1
[M+Na-2H]-	161.02202	130.0
[M]+	140.04680	125.9
[M]-	140.04790	125.9

Literature stripe

literature stripe

Patent stripe

patents stripe