CID 175135

Cepabactin

Structural Information

Molecular Formula
C7H9NO3
SMILES
CC1=C(C=CC(=O)N1O)OC
InChI
InChI=1S/C7H9NO3/c1-5-6(11-2)3-4-7(9)8(5)10/h3-4,10H,1-2H3
InChIKey
SVCUBTJFRYLVSI-UHFFFAOYSA-N
Compound name
1-hydroxy-5-methoxy-6-methylpyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

85
Patents

155.05824 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.06552 126.7
[M+Na]+ 178.04746 137.6
[M-H]- 154.05096 128.9
[M+NH4]+ 173.09206 146.5
[M+K]+ 194.02140 136.1
[M+H-H2O]+ 138.05550 121.1
[M+HCOO]- 200.05644 150.0
[M+CH3COO]- 214.07209 174.0
[M+Na-2H]- 176.03291 133.5
[M]+ 155.05769 129.4
[M]- 155.05879 129.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe