CID 295871

4-(benzyloxy)pyridine n-oxide

Structural Information

Molecular Formula
C12H11NO2
SMILES
C1=CC=C(C=C1)COC2=CC=[N+](C=C2)[O-]
InChI
InChI=1S/C12H11NO2/c14-13-8-6-12(7-9-13)15-10-11-4-2-1-3-5-11/h1-9H,10H2
InChIKey
SUSQPKJQYWTFPU-UHFFFAOYSA-N
Compound name
1-oxido-4-phenylmethoxypyridin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

125
Patents

201.07898 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.08626 142.9
[M+Na]+ 224.06820 150.3
[M-H]- 200.07170 147.0
[M+NH4]+ 219.11280 159.3
[M+K]+ 240.04214 142.4
[M+H-H2O]+ 184.07624 139.8
[M+HCOO]- 246.07718 166.0
[M+CH3COO]- 260.09283 174.4
[M+Na-2H]- 222.05365 152.5
[M]+ 201.07843 141.2
[M]- 201.07953 141.2
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