CID 51890155

Methyl 3-[(3-nitropyridin-4-yl)amino]propanoate

Structural Information

Molecular Formula
C9H11N3O4
SMILES
COC(=O)CCNC1=C(C=NC=C1)[N+](=O)[O-]
InChI
InChI=1S/C9H11N3O4/c1-16-9(13)3-5-11-7-2-4-10-6-8(7)12(14)15/h2,4,6H,3,5H2,1H3,(H,10,11)
InChIKey
LMLFNGJWVQXNOI-UHFFFAOYSA-N
Compound name
methyl 3-[(3-nitro-4-pyridinyl)amino]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.07495 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.082226 145.4
[M+Na]+ 248.064168 151.4
[M-H]- 224.067674 147.8
[M+NH4]+ 243.108773 160.9
[M+K]+ 264.038108 146.5
[M+H-H2O]+ 208.072210 142.5
[M+HCOO]- 270.073151 170.5
[M+CH3COO]- 284.088801 184.3
[M+Na-2H]- 246.049616 153.5
[M]+ 225.07440142 145.5
[M]- 225.07549858 145.5
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.