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

110
Patents

197.04366 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.050936 136.0
[M+Na]+ 220.032878 143.9
[M-H]- 196.036384 138.7
[M+NH4]+ 215.077483 152.8
[M+K]+ 236.006818 139.0
[M+H-H2O]+ 180.040920 133.8
[M+HCOO]- 242.041861 161.2
[M+CH3COO]- 256.057511 178.7
[M+Na-2H]- 218.018326 143.4
[M]+ 197.04311142 134.8
[M]- 197.04420858 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