CID 123125

3-aminopyridin-1-ium-1-olate hydrochloride

Structural Information

Molecular Formula
C5H6N2O
SMILES
C1=CC(=C[N+](=C1)[O-])N
InChI
InChI=1S/C5H6N2O/c6-5-2-1-3-7(8)4-5/h1-4H,6H2
InChIKey
ZGIBIGDAAQIUKA-UHFFFAOYSA-N
Compound name
1-oxidopyridin-1-ium-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

144
Patents

110.04801 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 111.05529 116.8
[M+Na]+ 133.03723 125.5
[M-H]- 109.04073 118.0
[M+NH4]+ 128.08183 137.1
[M+K]+ 149.01117 119.2
[M+H-H2O]+ 93.045270 116.1
[M+HCOO]- 155.04621 141.3
[M+CH3COO]- 169.06186 158.9
[M+Na-2H]- 131.02268 127.2
[M]+ 110.04746 112.3
[M]- 110.04856 112.3
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