CID 18989321

171559-74-3

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

38
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 152.5
[M+Na]+ 277.07949 160.3
[M-H]- 253.08299 155.6
[M+NH4]+ 272.12409 167.8
[M+K]+ 293.05343 155.4
[M+H-H2O]+ 237.08753 150.7
[M+HCOO]- 299.08847 174.8
[M+CH3COO]- 313.10412 187.4
[M+Na-2H]- 275.06494 160.0
[M]+ 254.08972 154.7
[M]- 254.09082 154.7
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