CID 14129

4-(4-nitrobenzyl)pyridine

Structural Information

Molecular Formula
C12H10N2O2
SMILES
C1=CC(=CC=C1CC2=CC=NC=C2)[N+](=O)[O-]
InChI
InChI=1S/C12H10N2O2/c15-14(16)12-3-1-10(2-4-12)9-11-5-7-13-8-6-11/h1-8H,9H2
InChIKey
MNHKUCBXXMFQDM-UHFFFAOYSA-N
Compound name
4-[(4-nitrophenyl)methyl]pyridine
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

97
References

1286
Patents

214.07423 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.08151 144.7
[M+Na]+ 237.06345 151.6
[M-H]- 213.06695 150.2
[M+NH4]+ 232.10805 160.8
[M+K]+ 253.03739 144.3
[M+H-H2O]+ 197.07149 141.1
[M+HCOO]- 259.07243 169.5
[M+CH3COO]- 273.08808 181.4
[M+Na-2H]- 235.04890 154.2
[M]+ 214.07368 142.8
[M]- 214.07478 142.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe