CID 501281

(4-nitrophenyl)methyl pyridine-2-carboxylate

Structural Information

Molecular Formula
C13H10N2O4
SMILES
C1=CC=NC(=C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C13H10N2O4/c16-13(12-3-1-2-8-14-12)19-9-10-4-6-11(7-5-10)15(17)18/h1-8H,9H2
InChIKey
VZLAOZFWLRTVNX-UHFFFAOYSA-N
Compound name
(4-nitrophenyl)methyl pyridine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

0
Patents

258.06406 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.07134 154.8
[M+Na]+ 281.05328 160.9
[M-H]- 257.05678 160.2
[M+NH4]+ 276.09788 168.7
[M+K]+ 297.02722 154.4
[M+H-H2O]+ 241.06132 150.7
[M+HCOO]- 303.06226 178.8
[M+CH3COO]- 317.07791 187.5
[M+Na-2H]- 279.03873 162.8
[M]+ 258.06351 154.5
[M]- 258.06461 154.5
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.