CID 165899354

En300-27784270

Structural Information

Molecular Formula
C13H19N3O5
SMILES
CC(C)(C)OC(=O)N1CC(C1)C2=NOC(=N2)CCC(=O)O
InChI
InChI=1S/C13H19N3O5/c1-13(2,3)20-12(19)16-6-8(7-16)11-14-9(21-15-11)4-5-10(17)18/h8H,4-7H2,1-3H3,(H,17,18)
InChIKey
SZWZBYXGDKVQBY-UHFFFAOYSA-N
Compound name
3-[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]-1,2,4-oxadiazol-5-yl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.13248 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.13976 167.4
[M+Na]+ 320.12170 171.8
[M-H]- 296.12520 169.3
[M+NH4]+ 315.16630 171.8
[M+K]+ 336.09564 175.1
[M+H-H2O]+ 280.12974 154.3
[M+HCOO]- 342.13068 180.8
[M+CH3COO]- 356.14633 201.3
[M+Na-2H]- 318.10715 167.9
[M]+ 297.13193 179.4
[M]- 297.13303 179.4
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.