CID 208225

N-acetyl-3-morpholinosydnone imine hydrochloride

Structural Information

Molecular Formula
C8H13N4O3
SMILES
CC(=O)NC1=C[N+](=NO1)N2CCOCC2
InChI
InChI=1S/C8H12N4O3/c1-7(13)9-8-6-12(10-15-8)11-2-4-14-5-3-11/h6H,2-5H2,1H3/p+1
InChIKey
HGUVDAMTYUZWAJ-UHFFFAOYSA-O
Compound name
N-(3-morpholin-4-yloxadiazol-3-ium-5-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

213.09877 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.10605 143.2
[M+Na]+ 236.08799 155.1
[M+NH4]+ 231.13259 150.1
[M+K]+ 252.06193 154.6
[M-H]- 212.09149 148.1
[M+Na-2H]- 234.07344 148.1
[M]+ 213.09822 146.2
[M]- 213.09932 146.2
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