CID 113390705

5-cyclopentyl-3-phenyl-1,2-oxazole-4-carboxylic acid

Structural Information

Molecular Formula
C15H15NO3
SMILES
C1CCC(C1)C2=C(C(=NO2)C3=CC=CC=C3)C(=O)O
InChI
InChI=1S/C15H15NO3/c17-15(18)12-13(10-6-2-1-3-7-10)16-19-14(12)11-8-4-5-9-11/h1-3,6-7,11H,4-5,8-9H2,(H,17,18)
InChIKey
YPOWUDFWQJTCEM-UHFFFAOYSA-N
Compound name
5-cyclopentyl-3-phenyl-1,2-oxazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.1052 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.112476 157.0
[M+Na]+ 280.094418 163.4
[M-H]- 256.097924 165.1
[M+NH4]+ 275.139023 173.5
[M+K]+ 296.068358 161.2
[M+H-H2O]+ 240.102460 149.9
[M+HCOO]- 302.103401 177.2
[M+CH3COO]- 316.119051 169.1
[M+Na-2H]- 278.079866 157.3
[M]+ 257.10465142 155.7
[M]- 257.10574858 155.7
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.