CID 10877178

151510-21-3

Structural Information

Molecular Formula
C6H7N3O
SMILES
C1=CC(=NC(=C1C=O)N)N
InChI
InChI=1S/C6H7N3O/c7-5-2-1-4(3-10)6(8)9-5/h1-3H,(H4,7,8,9)
InChIKey
YDVDHHVHCIAGAJ-UHFFFAOYSA-N
Compound name
2,6-diaminopyridine-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

137.05891 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.06619 125.2
[M+Na]+ 160.04813 134.4
[M-H]- 136.05163 127.5
[M+NH4]+ 155.09273 145.0
[M+K]+ 176.02207 132.2
[M+H-H2O]+ 120.05617 118.9
[M+HCOO]- 182.05711 150.7
[M+CH3COO]- 196.07276 176.8
[M+Na-2H]- 158.03358 132.2
[M]+ 137.05836 122.5
[M]- 137.05946 122.5
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