CID 209492

19951-51-0

Structural Information

Molecular Formula

C₆H₁₀N₃O₃

SMILES

C1=C(ON=[N+]1CCCC(=O)O)N

InChI

InChI=1S/C6H9N3O3/c7-5-4-9(8-12-5)3-1-2-6(10)11/h4H,1-3H2,(H2-,7,8,10,11)/p+1

InChIKey

WEFDGZDVSSLBAQ-UHFFFAOYSA-O

Compound name

4-(5-aminooxadiazol-3-ium-3-yl)butanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 172.07222 Da
Monoisotopic Mass: 0.0
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]+	173.07950	132.2
[M+Na]+	195.06144	143.2
[M+NH4]+	190.10604	138.8
[M+K]+	211.03538	143.1
[M-H]-	171.06494	133.7
[M+Na-2H]-	193.04689	136.1
[M]+	172.07167	134.1
[M]-	172.07277	134.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe