CID 59177237

4-chloro-1-ethyl-1h-imidazo[4,5-c]pyridine

Structural Information

Molecular Formula
C8H8ClN3
SMILES
CCN1C=NC2=C1C=CN=C2Cl
InChI
InChI=1S/C8H8ClN3/c1-2-12-5-11-7-6(12)3-4-10-8(7)9/h3-5H,2H2,1H3
InChIKey
ABTNQKPKNHYQQZ-UHFFFAOYSA-N
Compound name
4-chloro-1-ethylimidazo[4,5-c]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

181.04068 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.047956 134.2
[M+Na]+ 204.029898 147.1
[M-H]- 180.033404 135.3
[M+NH4]+ 199.074503 154.4
[M+K]+ 220.003838 142.5
[M+H-H2O]+ 164.037940 126.9
[M+HCOO]- 226.038881 152.4
[M+CH3COO]- 240.054531 148.4
[M+Na-2H]- 202.015346 142.2
[M]+ 181.04013142 138.7
[M]- 181.04122858 138.7
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