CID 105427227

2243512-57-2

Structural Information

Molecular Formula
C6H8N2O
SMILES
C1C(CN1)C2=NC=CO2
InChI
InChI=1S/C6H8N2O/c1-2-9-6(8-1)5-3-7-4-5/h1-2,5,7H,3-4H2
InChIKey
JCRCBLHMNOIMLW-UHFFFAOYSA-N
Compound name
2-(azetidin-3-yl)-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

124.06366 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.07094 116.5
[M+Na]+ 147.05288 123.0
[M-H]- 123.05638 119.7
[M+NH4]+ 142.09748 129.3
[M+K]+ 163.02682 125.6
[M+H-H2O]+ 107.06092 105.0
[M+HCOO]- 169.06186 136.4
[M+CH3COO]- 183.07751 169.1
[M+Na-2H]- 145.03833 124.1
[M]+ 124.06311 123.1
[M]- 124.06421 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