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]+ 185.09208 138.8
[M+Na]+ 207.07402 147.0
[M-H]- 183.07752 139.1
[M+NH4]+ 202.11862 155.8
[M+K]+ 223.04796 146.7
[M+H-H2O]+ 167.08206 131.9
[M+HCOO]- 229.08300 159.2
[M+CH3COO]- 243.09865 178.3
[M+Na-2H]- 205.05947 143.5
[M]+ 184.08425 142.1
[M]- 184.08535 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.