CID 70325949

2126163-09-3

Structural Information

Molecular Formula
C12H15NO5
SMILES
CC(C)(C)OC(=O)CN1C=CC=C(C1=O)C(=O)O
InChI
InChI=1S/C12H15NO5/c1-12(2,3)18-9(14)7-13-6-4-5-8(10(13)15)11(16)17/h4-6H,7H2,1-3H3,(H,16,17)
InChIKey
VGHJFZGVOHCGDO-UHFFFAOYSA-N
Compound name
1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxopyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

253.09502 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.10230 154.4
[M+Na]+ 276.08424 164.5
[M+NH4]+ 271.12884 158.7
[M+K]+ 292.05818 162.0
[M-H]- 252.08774 152.0
[M+Na-2H]- 274.06969 157.5
[M]+ 253.09447 154.8
[M]- 253.09557 154.8
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

patents stripe