CID 665968

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

Structural Information

Molecular Formula
C11H10N2O3
SMILES
C1=CC=C(C=C1)C2=NOC(=N2)CCC(=O)O
InChI
InChI=1S/C11H10N2O3/c14-10(15)7-6-9-12-11(13-16-9)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,14,15)
InChIKey
UBSBRLFVQKHLPG-UHFFFAOYSA-N
Compound name
3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

25
Patents

218.06914 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.07642 145.3
[M+Na]+ 241.05836 153.5
[M-H]- 217.06186 149.0
[M+NH4]+ 236.10296 160.5
[M+K]+ 257.03230 151.8
[M+H-H2O]+ 201.06640 137.3
[M+HCOO]- 263.06734 166.3
[M+CH3COO]- 277.08299 183.0
[M+Na-2H]- 239.04381 150.7
[M]+ 218.06859 147.2
[M]- 218.06969 147.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe