CID 410112

3h,4h,5h,6h,7h-imidazo[4,5-c]pyridine dihydrochloride

Structural Information

Molecular Formula
C6H9N3
SMILES
C1CNCC2=C1N=CN2
InChI
InChI=1S/C6H9N3/c1-2-7-3-6-5(1)8-4-9-6/h4,7H,1-3H2,(H,8,9)
InChIKey
URMVFILWXLQJIP-UHFFFAOYSA-N
Compound name
4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2067
Patents

123.07965 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.08693 124.7
[M+Na]+ 146.06887 132.0
[M-H]- 122.07237 121.9
[M+NH4]+ 141.11347 144.1
[M+K]+ 162.04281 128.6
[M+H-H2O]+ 106.07691 117.4
[M+HCOO]- 168.07785 141.0
[M+CH3COO]- 182.09350 136.5
[M+Na-2H]- 144.05432 131.8
[M]+ 123.07910 118.0
[M]- 123.08020 118.0
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