CID 57531903

2-(1h-imidazol-2-yl)-4-methylpyridine

Structural Information

Molecular Formula
C9H9N3
SMILES
CC1=CC(=NC=C1)C2=NC=CN2
InChI
InChI=1S/C9H9N3/c1-7-2-3-10-8(6-7)9-11-4-5-12-9/h2-6H,1H3,(H,11,12)
InChIKey
PTKORGPVBNEKSX-UHFFFAOYSA-N
Compound name
2-(1H-imidazol-2-yl)-4-methylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

159.07965 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.08693 132.1
[M+Na]+ 182.06887 141.5
[M-H]- 158.07237 133.9
[M+NH4]+ 177.11347 150.0
[M+K]+ 198.04281 137.7
[M+H-H2O]+ 142.07691 123.8
[M+HCOO]- 204.07785 153.5
[M+CH3COO]- 218.09350 145.3
[M+Na-2H]- 180.05432 139.1
[M]+ 159.07910 130.3
[M]- 159.08020 130.3
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