CID 13768248

104685-75-8

Structural Information

Molecular Formula
C7H7N3O4
SMILES
COC(=O)C1=CC(=C(N=C1)N)[N+](=O)[O-]
InChI
InChI=1S/C7H7N3O4/c1-14-7(11)4-2-5(10(12)13)6(8)9-3-4/h2-3H,1H3,(H2,8,9)
InChIKey
DCFLDKSHKLPIQA-UHFFFAOYSA-N
Compound name
methyl 6-amino-5-nitropyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

112
Patents

197.04366 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.05094 136.0
[M+Na]+ 220.03288 143.9
[M-H]- 196.03638 138.7
[M+NH4]+ 215.07748 152.8
[M+K]+ 236.00682 139.0
[M+H-H2O]+ 180.04092 133.8
[M+HCOO]- 242.04186 161.2
[M+CH3COO]- 256.05751 178.7
[M+Na-2H]- 218.01833 143.4
[M]+ 197.04311 134.8
[M]- 197.04421 134.8
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

patents stripe