CID 55277247

Methyl 6-methyl-4-nitropyridine-2-carboxylate

Structural Information

Molecular Formula
C8H8N2O4
SMILES
CC1=CC(=CC(=N1)C(=O)OC)[N+](=O)[O-]
InChI
InChI=1S/C8H8N2O4/c1-5-3-6(10(12)13)4-7(9-5)8(11)14-2/h3-4H,1-2H3
InChIKey
ZQDSJEMOFUPSKY-UHFFFAOYSA-N
Compound name
methyl 6-methyl-4-nitropyridine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.0484 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.05568 137.0
[M+Na]+ 219.03762 145.4
[M-H]- 195.04112 140.1
[M+NH4]+ 214.08222 154.5
[M+K]+ 235.01156 140.8
[M+H-H2O]+ 179.04566 135.1
[M+HCOO]- 241.04660 161.5
[M+CH3COO]- 255.06225 177.6
[M+Na-2H]- 217.02307 144.5
[M]+ 196.04785 138.0
[M]- 196.04895 138.0
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.