CID 112631588

2490426-58-7

Structural Information

Molecular Formula
C8H11N3O3
SMILES
CCOC(=O)C1=NOC(=N1)C2CNC2
InChI
InChI=1S/C8H11N3O3/c1-2-13-8(12)6-10-7(14-11-6)5-3-9-4-5/h5,9H,2-4H2,1H3
InChIKey
TWGNBSRUXVUNTJ-UHFFFAOYSA-N
Compound name
ethyl 5-(azetidin-3-yl)-1,2,4-oxadiazole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.08005 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.08733 140.9
[M+Na]+ 220.06927 146.4
[M+NH4]+ 215.11387 142.5
[M+K]+ 236.04321 147.0
[M-H]- 196.07277 138.4
[M+Na-2H]- 218.05472 142.0
[M]+ 197.07950 139.4
[M]- 197.08060 139.4
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

No patent data available for this compound.