CID 15054153

4-(5-phenyl-1,3-oxazol-2-yl)butanoic acid

Structural Information

Molecular Formula
C13H13NO3
SMILES
C1=CC=C(C=C1)C2=CN=C(O2)CCCC(=O)O
InChI
InChI=1S/C13H13NO3/c15-13(16)8-4-7-12-14-9-11(17-12)10-5-2-1-3-6-10/h1-3,5-6,9H,4,7-8H2,(H,15,16)
InChIKey
LGYLNERWPKVLBR-UHFFFAOYSA-N
Compound name
4-(5-phenyl-1,3-oxazol-2-yl)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

231.08954 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.096816 150.4
[M+Na]+ 254.078758 157.8
[M-H]- 230.082264 155.2
[M+NH4]+ 249.123363 166.5
[M+K]+ 270.052698 155.8
[M+H-H2O]+ 214.086800 143.1
[M+HCOO]- 276.087741 172.1
[M+CH3COO]- 290.103391 186.2
[M+Na-2H]- 252.064206 154.9
[M]+ 231.08899142 152.5
[M]- 231.09008858 152.5
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