CID 64136401

3-(aminomethyl)-5-chloropyridin-2-amine dihydrochloride

Structural Information

Molecular Formula
C6H8ClN3
SMILES
C1=C(C=NC(=C1CN)N)Cl
InChI
InChI=1S/C6H8ClN3/c7-5-1-4(2-8)6(9)10-3-5/h1,3H,2,8H2,(H2,9,10)
InChIKey
FRGNYBFHITUCOU-UHFFFAOYSA-N
Compound name
3-(aminomethyl)-5-chloropyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

157.04068 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.04796 130.1
[M+Na]+ 180.02990 139.8
[M-H]- 156.03340 132.0
[M+NH4]+ 175.07450 150.0
[M+K]+ 196.00384 135.7
[M+H-H2O]+ 140.03794 124.7
[M+HCOO]- 202.03888 150.6
[M+CH3COO]- 216.05453 179.4
[M+Na-2H]- 178.01535 136.5
[M]+ 157.04013 128.6
[M]- 157.04123 128.6
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