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

21
Patents

123.07965 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.086926 122.3
[M+Na]+ 146.068868 128.5
[M-H]- 122.072374 122.1
[M+NH4]+ 141.113473 134.3
[M+K]+ 162.042808 128.6
[M+H-H2O]+ 106.076910 109.8
[M+HCOO]- 168.077851 140.0
[M+CH3COO]- 182.093501 167.5
[M+Na-2H]- 144.054316 128.2
[M]+ 123.07910142 125.6
[M]- 123.08019858 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