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

127
Patents

201.07898 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.086256 142.9
[M+Na]+ 224.068198 150.3
[M-H]- 200.071704 147.0
[M+NH4]+ 219.112803 159.3
[M+K]+ 240.042138 142.4
[M+H-H2O]+ 184.076240 139.8
[M+HCOO]- 246.077181 166.0
[M+CH3COO]- 260.092831 174.4
[M+Na-2H]- 222.053646 152.5
[M]+ 201.07843142 141.2
[M]- 201.07952858 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