CID 139694

2-aminopyridine n-oxide

Structural Information

Molecular Formula
C5H6N2O
SMILES
C1=CC(=N)N(C=C1)O
InChI
InChI=1S/C5H6N2O/c6-5-3-1-2-4-7(5)8/h1-4,6,8H
InChIKey
KTPMVZCGIJJWCD-UHFFFAOYSA-N
Compound name
1-hydroxypyridin-2-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

452
Patents

110.04801 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 111.05529 116.8
[M+Na]+ 133.03723 125.9
[M-H]- 109.04073 118.4
[M+NH4]+ 128.08183 137.5
[M+K]+ 149.01117 123.7
[M+H-H2O]+ 93.045270 111.1
[M+HCOO]- 155.04621 141.3
[M+CH3COO]- 169.06186 166.3
[M+Na-2H]- 131.02268 126.3
[M]+ 110.04746 114.2
[M]- 110.04856 114.2
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