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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	172.07167	134.5
[M+Na]+	194.05361	144.0
[M+NH4]+	189.09821	140.2
[M+K]+	210.02755	142.9
[M-H]-	170.05711	134.7
[M+Na-2H]-	192.03906	137.7
[M]+	171.06384	135.4
[M]-	171.06494	135.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe