CID 58975469

2-(5-methyl-1h-pyrazol-1-yl)pyridine

Structural Information

Molecular Formula
C9H9N3
SMILES
CC1=CC=NN1C2=CC=CC=N2
InChI
InChI=1S/C9H9N3/c1-8-5-7-11-12(8)9-4-2-3-6-10-9/h2-7H,1H3
InChIKey
COTNQJPITRTSCQ-UHFFFAOYSA-N
Compound name
2-(5-methylpyrazol-1-yl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

159.07965 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.086926 131.4
[M+Na]+ 182.068868 141.3
[M-H]- 158.072374 134.6
[M+NH4]+ 177.113473 150.0
[M+K]+ 198.042808 138.4
[M+H-H2O]+ 142.076910 122.8
[M+HCOO]- 204.077851 154.3
[M+CH3COO]- 218.093501 145.3
[M+Na-2H]- 180.054316 138.8
[M]+ 159.07910142 131.5
[M]- 159.08019858 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