CID 2763001

3-aminopyridine-4-carboxaldehyde

Structural Information

Molecular Formula
C6H6N2O
SMILES
C1=CN=CC(=C1C=O)N
InChI
InChI=1S/C6H6N2O/c7-6-3-8-2-1-5(6)4-9/h1-4H,7H2
InChIKey
NDEGFXFYOKVWAK-UHFFFAOYSA-N
Compound name
3-aminopyridine-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

167
Patents

122.04801 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 123.05529 120.7
[M+Na]+ 145.03723 129.9
[M-H]- 121.04073 123.1
[M+NH4]+ 140.08183 141.4
[M+K]+ 161.01117 128.0
[M+H-H2O]+ 105.04527 114.6
[M+HCOO]- 167.04621 145.9
[M+CH3COO]- 181.06186 171.2
[M+Na-2H]- 143.02268 129.2
[M]+ 122.04746 119.4
[M]- 122.04856 119.4
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