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

25
Patents

182.06914 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.07642 132.7
[M+Na]+ 205.05836 138.7
[M-H]- 181.06186 136.0
[M+NH4]+ 200.10296 143.0
[M+K]+ 221.03230 141.7
[M+H-H2O]+ 165.06640 120.6
[M+HCOO]- 227.06734 151.3
[M+CH3COO]- 241.08299 179.4
[M+Na-2H]- 203.04381 137.0
[M]+ 182.06859 141.6
[M]- 182.06969 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