CID 9815679

187022-17-9

Structural Information

Molecular Formula
C9H9ClN4
SMILES
C1=CC(=NC=C1CN2C=CN=C2N)Cl
InChI
InChI=1S/C9H9ClN4/c10-8-2-1-7(5-13-8)6-14-4-3-12-9(14)11/h1-5H,6H2,(H2,11,12)
InChIKey
GUKNBXPEMHBPPZ-UHFFFAOYSA-N
Compound name
1-[(6-chloropyridin-3-yl)methyl]imidazol-2-amine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

7
Patents

208.05157 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.05885 142.0
[M+Na]+ 231.04079 156.2
[M+NH4]+ 226.08539 150.2
[M+K]+ 247.01473 150.9
[M-H]- 207.04429 144.9
[M+Na-2H]- 229.02624 150.6
[M]+ 208.05102 145.0
[M]- 208.05212 145.0
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