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-nitropyridin-4-yl)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]+ 226.08223 145.4
[M+Na]+ 248.06417 151.4
[M-H]- 224.06767 147.8
[M+NH4]+ 243.10877 160.9
[M+K]+ 264.03811 146.5
[M+H-H2O]+ 208.07221 142.5
[M+HCOO]- 270.07315 170.5
[M+CH3COO]- 284.08880 184.3
[M+Na-2H]- 246.04962 153.5
[M]+ 225.07440 145.5
[M]- 225.07550 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.