CID 105439902

2095672-88-9

Structural Information

Molecular Formula
C8H10N2O3
SMILES
COC(=O)C1=COC(=N1)C2CNC2
InChI
InChI=1S/C8H10N2O3/c1-12-8(11)6-4-13-7(10-6)5-2-9-3-5/h4-5,9H,2-3H2,1H3
InChIKey
MJTROQCVJFVAPV-UHFFFAOYSA-N
Compound name
methyl 2-(azetidin-3-yl)-1,3-oxazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

182.06914 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.076416 132.7
[M+Na]+ 205.058358 138.7
[M-H]- 181.061864 136.0
[M+NH4]+ 200.102963 143.0
[M+K]+ 221.032298 141.7
[M+H-H2O]+ 165.066400 120.6
[M+HCOO]- 227.067341 151.3
[M+CH3COO]- 241.082991 179.4
[M+Na-2H]- 203.043806 137.0
[M]+ 182.06859142 141.6
[M]- 182.06968858 141.6
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