CID 11412638

612511-72-5

Structural Information

Molecular Formula
C6H9N3O3
SMILES
CCOC(=O)C1=NOC(=N1)CN
InChI
InChI=1S/C6H9N3O3/c1-2-11-6(10)5-8-4(3-7)12-9-5/h2-3,7H2,1H3
InChIKey
WBHMZGCSFLEREW-UHFFFAOYSA-N
Compound name
ethyl 5-(aminomethyl)-1,2,4-oxadiazole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

171.06439 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.07167 133.7
[M+Na]+ 194.05361 142.3
[M-H]- 170.05711 135.2
[M+NH4]+ 189.09821 151.4
[M+K]+ 210.02755 142.9
[M+H-H2O]+ 154.06165 126.4
[M+HCOO]- 216.06259 156.7
[M+CH3COO]- 230.07824 178.5
[M+Na-2H]- 192.03906 139.2
[M]+ 171.06384 136.2
[M]- 171.06494 136.2
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