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 142.3
[M+Na]+ 234.08491 147.8
[M-H]- 210.08841 143.9
[M+NH4]+ 229.12951 150.1
[M+K]+ 250.05885 150.4
[M+H-H2O]+ 194.09295 129.0
[M+HCOO]- 256.09389 159.2
[M+CH3COO]- 270.10954 185.1
[M+Na-2H]- 232.07036 145.7
[M]+ 211.09514 151.9
[M]- 211.09624 151.9
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.