CID 13292022

30766-27-9

Structural Information

Molecular Formula
C7H6N2O4
SMILES
COC(=O)C1=CC(=CN=C1)[N+](=O)[O-]
InChI
InChI=1S/C7H6N2O4/c1-13-7(10)5-2-6(9(11)12)4-8-3-5/h2-4H,1H3
InChIKey
QCOPSULUPWRTSS-UHFFFAOYSA-N
Compound name
methyl 5-nitropyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

182.03276 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.040036 132.8
[M+Na]+ 205.021978 140.7
[M-H]- 181.025484 135.7
[M+NH4]+ 200.066583 150.5
[M+K]+ 220.995918 136.4
[M+H-H2O]+ 165.030020 130.9
[M+HCOO]- 227.030961 157.6
[M+CH3COO]- 241.046611 173.5
[M+Na-2H]- 203.007426 141.4
[M]+ 182.03221142 133.1
[M]- 182.03330858 133.1
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