CID 121605261

3-(azetidin-3-yl)-1,2-oxazole hydrochloride

Structural Information

Molecular Formula
C6H8N2O
SMILES
C1C(CN1)C2=NOC=C2
InChI
InChI=1S/C6H8N2O/c1-2-9-8-6(1)5-3-7-4-5/h1-2,5,7H,3-4H2
InChIKey
FNSSUTQYWDPPHR-UHFFFAOYSA-N
Compound name
3-(azetidin-3-yl)-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

124.06366 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.070936 116.5
[M+Na]+ 147.052878 123.0
[M-H]- 123.056384 119.7
[M+NH4]+ 142.097483 129.3
[M+K]+ 163.026818 125.6
[M+H-H2O]+ 107.060920 105.0
[M+HCOO]- 169.061861 136.4
[M+CH3COO]- 183.077511 169.1
[M+Na-2H]- 145.038326 124.1
[M]+ 124.06311142 123.1
[M]- 124.06420858 123.1
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