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

26
Patents

157.04068 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.047956 130.1
[M+Na]+ 180.029898 139.8
[M-H]- 156.033404 132.0
[M+NH4]+ 175.074503 150.0
[M+K]+ 196.003838 135.7
[M+H-H2O]+ 140.037940 124.7
[M+HCOO]- 202.038881 150.6
[M+CH3COO]- 216.054531 179.4
[M+Na-2H]- 178.015346 136.5
[M]+ 157.04013142 128.6
[M]- 157.04122858 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