CID 213967

Sydnone, 3-morpholino-

Structural Information

Molecular Formula

C₆H₁₀N₃O₃

SMILES

C1COCCN1[N+]2=CC(=O)ON2

InChI

InChI=1S/C6H9N3O3/c10-6-5-9(7-12-6)8-1-3-11-4-2-8/h5H,1-4H2/p+1

InChIKey

SNYYAQOZQVWIDC-UHFFFAOYSA-O

Compound name

3-morpholin-4-yl-2H-oxadiazol-3-ium-5-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 15
Patents: 172.07222 Da
Monoisotopic Mass: 0.5
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	132.9
[M+Na]+	195.06144	140.3
[M-H]-	171.06494	135.5
[M+NH4]+	190.10604	146.8
[M+K]+	211.03538	135.2
[M+H-H2O]+	155.06948	127.5
[M+HCOO]-	217.07042	149.4
[M+CH3COO]-	231.08607	164.7
[M+Na-2H]-	193.04689	142.0
[M]+	172.07167	129.0
[M]-	172.07277	129.0

Literature stripe

literature stripe

Patent stripe

patents stripe