CID 175266

Antibiotic bn 227f

Structural Information

Molecular Formula
C7H8NO3
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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.05770 125.0
[M+Na]+ 177.03964 135.7
[M-H]- 153.04314 126.9
[M+NH4]+ 172.08424 144.8
[M+K]+ 193.01358 135.3
[M+H-H2O]+ 137.04768 121.6
[M+HCOO]- 199.04862 149.2
[M+CH3COO]- 213.06427 173.5
[M+Na-2H]- 175.02509 131.5
[M]+ 154.04987 127.2
[M]- 154.05097 127.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.