CID 673949

302796-45-8

Structural Information

Molecular Formula
C7H10N4O2
SMILES
C1CCN(C1)C(=O)C2=NON=C2N
InChI
InChI=1S/C7H10N4O2/c8-6-5(9-13-10-6)7(12)11-3-1-2-4-11/h1-4H2,(H2,8,10)
InChIKey
RTXGOCLAZZICQK-UHFFFAOYSA-N
Compound name
(4-amino-1,2,5-oxadiazol-3-yl)-pyrrolidin-1-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

3
Patents

182.08037 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.08765 137.1
[M+Na]+ 205.06959 144.4
[M-H]- 181.07309 140.3
[M+NH4]+ 200.11419 154.2
[M+K]+ 221.04353 144.5
[M+H-H2O]+ 165.07763 128.8
[M+HCOO]- 227.07857 157.6
[M+CH3COO]- 241.09422 179.1
[M+Na-2H]- 203.05504 139.7
[M]+ 182.07982 134.7
[M]- 182.08092 134.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe