CID 3164328

3-[3-(pyridin-2-yl)-1,2,4-oxadiazol-5-yl]propanoic acid

Structural Information

Molecular Formula
C10H9N3O3
SMILES
C1=CC=NC(=C1)C2=NOC(=N2)CCC(=O)O
InChI
InChI=1S/C10H9N3O3/c14-9(15)5-4-8-12-10(13-16-8)7-3-1-2-6-11-7/h1-3,6H,4-5H2,(H,14,15)
InChIKey
SMLZSTCHCICYHA-UHFFFAOYSA-N
Compound name
3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

219.06439 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.071666 145.1
[M+Na]+ 242.053608 153.7
[M-H]- 218.057114 147.5
[M+NH4]+ 237.098213 158.8
[M+K]+ 258.027548 152.0
[M+H-H2O]+ 202.061650 136.3
[M+HCOO]- 264.062591 164.9
[M+CH3COO]- 278.078241 182.9
[M+Na-2H]- 240.039056 150.8
[M]+ 219.06384142 147.0
[M]- 219.06493858 147.0
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

patents stripe