CID 12358233

3-(aminomethyl)pyridin-2-amine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

142
Patents

123.07965 Da
Monoisotopic Mass

-0.1
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

literature stripe

Patent stripe

patents stripe