CID 155820185

2567498-83-1

Structural Information

Molecular Formula
C9H13N3O3
SMILES
COC(=O)CCC1=NC(=NO1)C2CNC2
InChI
InChI=1S/C9H13N3O3/c1-14-8(13)3-2-7-11-9(12-15-7)6-4-10-5-6/h6,10H,2-5H2,1H3
InChIKey
XAJJPNMYHSBGTM-UHFFFAOYSA-N
Compound name
methyl 3-[3-(azetidin-3-yl)-1,2,4-oxadiazol-5-yl]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.09569 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.10297 145.3
[M+Na]+ 234.08491 150.7
[M+NH4]+ 229.12951 146.7
[M+K]+ 250.05885 151.0
[M-H]- 210.08841 142.8
[M+Na-2H]- 232.07036 146.2
[M]+ 211.09514 143.7
[M]- 211.09624 143.7
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.