CID 175266

Antibiotic bn 227f

Structural Information

Molecular Formula

SMILES

CC1=C(C=CC(=O)N1[O-])OC

InChI

InChI=1S/C7H8NO3/c1-5-6(11-2)3-4-7(9)8(5)10/h3-4H,1-2H3/q-1

InChIKey

WPLIRDALDXUWSI-UHFFFAOYSA-N

Compound name

5-methoxy-6-methyl-1-oxidopyridin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 154.05042 Da
Monoisotopic Mass: -0.1
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]+	155.05770	127.4
[M+Na]+	177.03964	140.8
[M+NH4]+	172.08424	134.5
[M+K]+	193.01358	136.6
[M-H]-	153.04314	127.8
[M+Na-2H]-	175.02509	133.0
[M]+	154.04987	129.0
[M]-	154.05097	129.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.