CID 9956

2,3-diaminopyridine

Structural Information

Molecular Formula
C5H7N3
SMILES
C1=CC(=C(N=C1)N)N
InChI
InChI=1S/C5H7N3/c6-4-2-1-3-8-5(4)7/h1-3H,6H2,(H2,7,8)
InChIKey
ZZYXNRREDYWPLN-UHFFFAOYSA-N
Compound name
pyridine-2,3-diamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

85
References

16271
Patents

109.063995 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 110.071271 118.5
[M+Na]+ 132.053213 127.0
[M-H]- 108.056719 120.5
[M+NH4]+ 127.097818 139.2
[M+K]+ 148.027153 125.1
[M+H-H2O]+ 92.061255 112.3
[M+HCOO]- 154.062196 144.0
[M+CH3COO]- 168.077846 171.3
[M+Na-2H]- 130.038661 126.8
[M]+ 109.06344642 114.4
[M]- 109.06454358 114.4
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