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

6
Patents

182.03276 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.04004 132.8
[M+Na]+ 205.02198 140.7
[M-H]- 181.02548 135.7
[M+NH4]+ 200.06658 150.5
[M+K]+ 220.99592 136.4
[M+H-H2O]+ 165.03002 130.9
[M+HCOO]- 227.03096 157.6
[M+CH3COO]- 241.04661 173.5
[M+Na-2H]- 203.00743 141.4
[M]+ 182.03221 133.1
[M]- 182.03331 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