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-nitropyridin-4-yl)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]+ 240.09788 150.1
[M+Na]+ 262.07982 155.9
[M-H]- 238.08332 153.8
[M+NH4]+ 257.12442 165.7
[M+K]+ 278.05376 152.1
[M+H-H2O]+ 222.08786 146.9
[M+HCOO]- 284.08880 175.4
[M+CH3COO]- 298.10445 190.9
[M+Na-2H]- 260.06527 156.9
[M]+ 239.09005 151.8
[M]- 239.09115 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.