CID 47002928

Ethyl 3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoate

Structural Information

Molecular Formula
C10H16N2O3
SMILES
CCCC1=NOC(=N1)CCC(=O)OCC
InChI
InChI=1S/C10H16N2O3/c1-3-5-8-11-9(15-12-8)6-7-10(13)14-4-2/h3-7H2,1-2H3
InChIKey
HYBGBUYABWBKDI-UHFFFAOYSA-N
Compound name
ethyl 3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.11609 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.123366 147.5
[M+Na]+ 235.105308 155.4
[M-H]- 211.108814 148.9
[M+NH4]+ 230.149913 164.2
[M+K]+ 251.079248 155.5
[M+H-H2O]+ 195.113350 140.1
[M+HCOO]- 257.114291 168.8
[M+CH3COO]- 271.129941 186.2
[M+Na-2H]- 233.090756 151.6
[M]+ 212.11554142 153.4
[M]- 212.11663858 153.4
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.