CID 551072

4-(morpholine-4-carbonyl)-1,2,5-oxadiazol-3-amine

Structural Information

Molecular Formula
C7H10N4O3
SMILES
C1COCCN1C(=O)C2=NON=C2N
InChI
InChI=1S/C7H10N4O3/c8-6-5(9-14-10-6)7(12)11-1-3-13-4-2-11/h1-4H2,(H2,8,10)
InChIKey
LHPKLYSEDDBERI-UHFFFAOYSA-N
Compound name
(4-amino-1,2,5-oxadiazol-3-yl)-morpholin-4-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.07529 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.082566 141.7
[M+Na]+ 221.064508 148.3
[M-H]- 197.068014 144.9
[M+NH4]+ 216.109113 154.8
[M+K]+ 237.038448 149.1
[M+H-H2O]+ 181.072550 132.8
[M+HCOO]- 243.073491 159.1
[M+CH3COO]- 257.089141 181.6
[M+Na-2H]- 219.049956 146.3
[M]+ 198.07474142 139.0
[M]- 198.07583858 139.0
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

No patent data available for this compound.