CID 62007150

Ethyl 2-[methyl(3-nitropyridin-4-yl)amino]acetate

Structural Information

Molecular Formula
C10H13N3O4
SMILES
CCOC(=O)CN(C)C1=C(C=NC=C1)[N+](=O)[O-]
InChI
InChI=1S/C10H13N3O4/c1-3-17-10(14)7-12(2)8-4-5-11-6-9(8)13(15)16/h4-6H,3,7H2,1-2H3
InChIKey
PCVJGLXCSCOWGW-UHFFFAOYSA-N
Compound name
ethyl 2-[methyl-(3-nitro-4-pyridinyl)amino]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.0906 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.097876 150.1
[M+Na]+ 262.079818 155.9
[M-H]- 238.083324 153.8
[M+NH4]+ 257.124423 165.7
[M+K]+ 278.053758 152.1
[M+H-H2O]+ 222.087860 146.9
[M+HCOO]- 284.088801 175.4
[M+CH3COO]- 298.104451 190.9
[M+Na-2H]- 260.065266 156.9
[M]+ 239.09005142 151.8
[M]- 239.09114858 151.8
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

No patent data available for this compound.