CID 23043252

2-(aminomethyl)pyridin-4-amine dihydrochloride

Structural Information

Molecular Formula
C6H9N3
SMILES
C1=CN=C(C=C1N)CN
InChI
InChI=1S/C6H9N3/c7-4-6-3-5(8)1-2-9-6/h1-3H,4,7H2,(H2,8,9)
InChIKey
AURGEKGUIZVWLL-UHFFFAOYSA-N
Compound name
2-(aminomethyl)pyridin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

123.07965 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.08693 123.1
[M+Na]+ 146.06887 131.1
[M-H]- 122.07237 124.9
[M+NH4]+ 141.11347 143.2
[M+K]+ 162.04281 128.9
[M+H-H2O]+ 106.07691 116.6
[M+HCOO]- 168.07785 148.2
[M+CH3COO]- 182.09350 174.4
[M+Na-2H]- 144.05432 130.8
[M]+ 123.07910 119.3
[M]- 123.08020 119.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe