CID 737633

7521-41-7

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

3
References

1831
Patents

122.04801 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 123.05529 121.4
[M+Na]+ 145.03723 134.1
[M+NH4]+ 140.08183 129.8
[M+K]+ 161.01117 128.2
[M-H]- 121.04073 123.4
[M+Na-2H]- 143.02268 129.0
[M]+ 122.04746 123.6
[M]- 122.04856 123.6
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