CID 3460796

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

Structural Information

Molecular Formula
C12H11NO3
SMILES
C1=CC=C(C=C1)C2=CN=C(O2)CCC(=O)O
InChI
InChI=1S/C12H11NO3/c14-12(15)7-6-11-13-8-10(16-11)9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,14,15)
InChIKey
GFVIYHMHRMUSLA-UHFFFAOYSA-N
Compound name
3-(5-phenyl-1,3-oxazol-2-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

3
Patents

217.0739 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.08118 146.7
[M+Na]+ 240.06312 159.3
[M+NH4]+ 235.10772 154.0
[M+K]+ 256.03706 155.8
[M-H]- 216.06662 150.0
[M+Na-2H]- 238.04857 153.4
[M]+ 217.07335 149.3
[M]- 217.07445 149.3
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