CID 71755404

5-(1h-imidazol-1-yl)-2-methylpyridine

Structural Information

Molecular Formula
C9H9N3
SMILES
CC1=NC=C(C=C1)N2C=CN=C2
InChI
InChI=1S/C9H9N3/c1-8-2-3-9(6-11-8)12-5-4-10-7-12/h2-7H,1H3
InChIKey
WVRGRAUQQFMCMY-UHFFFAOYSA-N
Compound name
5-imidazol-1-yl-2-methylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

159.07965 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.08693 131.4
[M+Na]+ 182.06887 141.3
[M-H]- 158.07237 134.6
[M+NH4]+ 177.11347 150.0
[M+K]+ 198.04281 138.4
[M+H-H2O]+ 142.07691 122.8
[M+HCOO]- 204.07785 154.3
[M+CH3COO]- 218.09350 145.3
[M+Na-2H]- 180.05432 138.8
[M]+ 159.07910 131.5
[M]- 159.08020 131.5
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