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

17
Patents

123.07965 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.086926 123.1
[M+Na]+ 146.068868 131.1
[M-H]- 122.072374 124.9
[M+NH4]+ 141.113473 143.2
[M+K]+ 162.042808 128.9
[M+H-H2O]+ 106.076910 116.6
[M+HCOO]- 168.077851 148.2
[M+CH3COO]- 182.093501 174.4
[M+Na-2H]- 144.054316 130.8
[M]+ 123.07910142 119.3
[M]- 123.08019858 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