CID 18989321

Tert-butyl 2-(3-nitro-2-oxopyridin-1(2h)-yl)acetate

Structural Information

Molecular Formula
C11H14N2O5
SMILES
CC(C)(C)OC(=O)CN1C=CC=C(C1=O)[N+](=O)[O-]
InChI
InChI=1S/C11H14N2O5/c1-11(2,3)18-9(14)7-12-6-4-5-8(10(12)15)13(16)17/h4-6H,7H2,1-3H3
InChIKey
DWWAUQIESJGSDR-UHFFFAOYSA-N
Compound name
tert-butyl 2-(3-nitro-2-oxopyridin-1-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

254.09027 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.09755 151.7
[M+Na]+ 277.07949 163.3
[M+NH4]+ 272.12409 156.9
[M+K]+ 293.05343 162.5
[M-H]- 253.08299 151.8
[M+Na-2H]- 275.06494 155.9
[M]+ 254.08972 153.0
[M]- 254.09082 153.0
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