CID 43433397

4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoic acid

Structural Information

Molecular Formula
C9H14N2O3
SMILES
CCCC1=NOC(=N1)CCCC(=O)O
InChI
InChI=1S/C9H14N2O3/c1-2-4-7-10-8(14-11-7)5-3-6-9(12)13/h2-6H2,1H3,(H,12,13)
InChIKey
IUYDTYGTSNWBNY-UHFFFAOYSA-N
Compound name
4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.10045 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.10773 144.1
[M+Na]+ 221.08967 154.0
[M+NH4]+ 216.13427 149.6
[M+K]+ 237.06361 151.8
[M-H]- 197.09317 143.6
[M+Na-2H]- 219.07512 146.7
[M]+ 198.09990 145.0
[M]- 198.10100 145.0
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.