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 152.7
[M+Na]+ 276.08424 160.9
[M-H]- 252.08774 154.3
[M+NH4]+ 271.12884 168.1
[M+K]+ 292.05818 159.8
[M+H-H2O]+ 236.09228 146.6
[M+HCOO]- 298.09322 171.7
[M+CH3COO]- 312.10887 191.4
[M+Na-2H]- 274.06969 156.3
[M]+ 253.09447 156.5
[M]- 253.09557 156.5
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