CID 28344867

933685-27-9

Structural Information

Molecular Formula
C10H9N3O3
SMILES
C1=CN=CC=C1C2=NN=C(O2)CCC(=O)O
InChI
InChI=1S/C10H9N3O3/c14-9(15)2-1-8-12-13-10(16-8)7-3-5-11-6-4-7/h3-6H,1-2H2,(H,14,15)
InChIKey
KUYOHZIIDVEMPX-UHFFFAOYSA-N
Compound name
3-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.06439 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.07167 145.1
[M+Na]+ 242.05361 153.7
[M-H]- 218.05711 147.5
[M+NH4]+ 237.09821 158.8
[M+K]+ 258.02755 152.0
[M+H-H2O]+ 202.06165 136.3
[M+HCOO]- 264.06259 164.9
[M+CH3COO]- 278.07824 182.9
[M+Na-2H]- 240.03906 150.8
[M]+ 219.06384 147.0
[M]- 219.06494 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

No patent data available for this compound.