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]+ 199.08257 141.7
[M+Na]+ 221.06451 148.3
[M-H]- 197.06801 144.9
[M+NH4]+ 216.10911 154.8
[M+K]+ 237.03845 149.1
[M+H-H2O]+ 181.07255 132.8
[M+HCOO]- 243.07349 159.1
[M+CH3COO]- 257.08914 181.6
[M+Na-2H]- 219.04996 146.3
[M]+ 198.07474 139.0
[M]- 198.07584 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.