CID 9989505

Immethridine

Structural Information

Molecular Formula
C9H9N3
SMILES
C1=CN=CC=C1CC2=CN=CN2
InChI
InChI=1S/C9H9N3/c1-3-10-4-2-8(1)5-9-6-11-7-12-9/h1-4,6-7H,5H2,(H,11,12)
InChIKey
DFVSGZHJSIEEQQ-UHFFFAOYSA-N
Compound name
4-(1H-imidazol-5-ylmethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

126
Patents

159.07965 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.08693 131.8
[M+Na]+ 182.06887 140.2
[M-H]- 158.07237 133.2
[M+NH4]+ 177.11347 149.4
[M+K]+ 198.04281 136.5
[M+H-H2O]+ 142.07691 123.2
[M+HCOO]- 204.07785 153.2
[M+CH3COO]- 218.09350 144.6
[M+Na-2H]- 180.05432 139.5
[M]+ 159.07910 129.6
[M]- 159.08020 129.6
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