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 137.6
[M+Na]+ 220.06927 143.6
[M-H]- 196.07277 139.5
[M+NH4]+ 215.11387 146.0
[M+K]+ 236.04321 146.4
[M+H-H2O]+ 180.07731 124.5
[M+HCOO]- 242.07825 154.9
[M+CH3COO]- 256.09390 182.2
[M+Na-2H]- 218.05472 141.6
[M]+ 197.07950 146.9
[M]- 197.08060 146.9
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.