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 145.7
[M+Na]+ 240.06312 153.6
[M-H]- 216.06662 150.7
[M+NH4]+ 235.10772 162.4
[M+K]+ 256.03706 151.8
[M+H-H2O]+ 200.07116 138.6
[M+HCOO]- 262.07210 167.7
[M+CH3COO]- 276.08775 183.2
[M+Na-2H]- 238.04857 150.8
[M]+ 217.07335 147.5
[M]- 217.07445 147.5
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