CID 55299196

2-(azetidin-3-yl)-1h-imidazole dihydrochloride

Structural Information

Molecular Formula
C6H9N3
SMILES
C1C(CN1)C2=NC=CN2
InChI
InChI=1S/C6H9N3/c1-2-9-6(8-1)5-3-7-4-5/h1-2,5,7H,3-4H2,(H,8,9)
InChIKey
FUUJTHNKOCYTDT-UHFFFAOYSA-N
Compound name
2-(azetidin-3-yl)-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
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 122.3
[M+Na]+ 146.06887 128.5
[M-H]- 122.07237 122.1
[M+NH4]+ 141.11347 134.3
[M+K]+ 162.04281 128.6
[M+H-H2O]+ 106.07691 109.8
[M+HCOO]- 168.07785 140.0
[M+CH3COO]- 182.09350 167.5
[M+Na-2H]- 144.05432 128.2
[M]+ 123.07910 125.6
[M]- 123.08020 125.6
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