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-chloro-3-pyridinyl)methyl]imidazol-2-amine
Related CIDs

2D Structure

compound 2d structure
4
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]+ 209.058846 142.8
[M+Na]+ 231.040788 153.2
[M-H]- 207.044294 145.4
[M+NH4]+ 226.085393 159.8
[M+K]+ 247.014728 148.0
[M+H-H2O]+ 191.048830 134.1
[M+HCOO]- 253.049771 161.2
[M+CH3COO]- 267.065421 155.5
[M+Na-2H]- 229.026236 148.2
[M]+ 208.05102142 143.3
[M]- 208.05211858 143.3
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