CID 11062385

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

Structural Information

Molecular Formula

SMILES

CC1=CC(=CC(=O)O1)N

InChI

InChI=1S/C6H7NO2/c1-4-2-5(7)3-6(8)9-4/h2-3H,7H2,1H3

InChIKey

ARDXSWUPBSFGCA-UHFFFAOYSA-N

Compound name

4-amino-6-methylpyran-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 9
Patents: 125.047676 Da
Monoisotopic Mass: 0.2
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]+	126.054952	119.9
[M+Na]+	148.036894	130.0
[M-H]-	124.040400	124.9
[M+NH4]+	143.081499	140.9
[M+K]+	164.010834	129.7
[M+H-H2O]+	108.044936	114.7
[M+HCOO]-	170.045877	145.6
[M+CH3COO]-	184.061527	171.8
[M+Na-2H]-	146.022342	128.5
[M]+	125.04712742	120.6
[M]-	125.04822458	120.6

Literature stripe

literature stripe

Patent stripe

patents stripe