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 145.3
[M+Na]+ 236.08799 151.1
[M-H]- 212.09149 149.1
[M+NH4]+ 231.13259 157.8
[M+K]+ 252.06193 146.7
[M+H-H2O]+ 196.09603 139.0
[M+HCOO]- 258.09697 162.7
[M+CH3COO]- 272.11262 178.2
[M+Na-2H]- 234.07344 153.3
[M]+ 213.09822 142.5
[M]- 213.09932 142.5
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