CID 3877978

Pyridine n-oxide perchlorate

Structural Information

Molecular Formula
C5H6NO
SMILES
C1=CC=[N+](C=C1)O
InChI
InChI=1S/C5H6NO/c7-6-4-2-1-3-5-6/h1-5,7H/q+1
InChIKey
DEINLRGVTJVCOS-UHFFFAOYSA-N
Compound name
1-hydroxypyridin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

119
References

603
Patents

96.04494 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 97.052216 114.4
[M+Na]+ 119.03416 123.1
[M-H]- 95.037664 116.1
[M+NH4]+ 114.07876 135.6
[M+K]+ 135.00810 116.5
[M+H-H2O]+ 79.042200 111.8
[M+HCOO]- 141.04314 137.5
[M+CH3COO]- 155.05879 154.6
[M+Na-2H]- 117.01961 126.7
[M]+ 96.044391 111.8
[M]- 96.045489 111.8
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