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-oxo-1-pyridinyl)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]+ 255.097546 152.5
[M+Na]+ 277.079488 160.3
[M-H]- 253.082994 155.6
[M+NH4]+ 272.124093 167.8
[M+K]+ 293.053428 155.4
[M+H-H2O]+ 237.087530 150.7
[M+HCOO]- 299.088471 174.8
[M+CH3COO]- 313.104121 187.4
[M+Na-2H]- 275.064936 160.0
[M]+ 254.08972142 154.7
[M]- 254.09081858 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