CID 16227959

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

Structural Information

Molecular Formula
C8H12N2O3
SMILES
CCCC1=NOC(=N1)CCC(=O)O
InChI
InChI=1S/C8H12N2O3/c1-2-3-6-9-7(13-10-6)4-5-8(11)12/h2-5H2,1H3,(H,11,12)
InChIKey
SICRYCCWGXBHIN-UHFFFAOYSA-N
Compound name
3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.0848 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.092076 138.8
[M+Na]+ 207.074018 147.0
[M-H]- 183.077524 139.1
[M+NH4]+ 202.118623 155.8
[M+K]+ 223.047958 146.7
[M+H-H2O]+ 167.082060 131.9
[M+HCOO]- 229.083001 159.2
[M+CH3COO]- 243.098651 178.3
[M+Na-2H]- 205.059466 143.5
[M]+ 184.08425142 142.1
[M]- 184.08534858 142.1
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.