CID 5918

3,4-diaminopyridine

Structural Information

Molecular Formula
C5H7N3
SMILES
C1=CN=CC(=C1N)N
InChI
InChI=1S/C5H7N3/c6-4-1-2-8-3-5(4)7/h1-3H,7H2,(H2,6,8)
InChIKey
OYTKINVCDFNREN-UHFFFAOYSA-N
Compound name
pyridine-3,4-diamine
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

493
References

12235
Patents

109.063995 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 110.07127 118.5
[M+Na]+ 132.05321 127.0
[M-H]- 108.05672 120.5
[M+NH4]+ 127.09782 139.2
[M+K]+ 148.02715 125.1
[M+H-H2O]+ 92.061255 112.3
[M+HCOO]- 154.06220 144.0
[M+CH3COO]- 168.07785 171.3
[M+Na-2H]- 130.03866 126.8
[M]+ 109.06345 114.4
[M]- 109.06454 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