CID 20114220

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

Structural Information

Molecular Formula
C13H11NO3
SMILES
C1CC1C2=C(N=C(O2)C3=CC=CC=C3)C(=O)O
InChI
InChI=1S/C13H11NO3/c15-13(16)10-11(8-6-7-8)17-12(14-10)9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,15,16)
InChIKey
CGMNZWYGTFJKTF-UHFFFAOYSA-N
Compound name
5-cyclopropyl-2-phenyl-1,3-oxazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.0739 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.08118 153.2
[M+Na]+ 252.06312 167.7
[M+NH4]+ 247.10772 161.5
[M+K]+ 268.03706 165.2
[M-H]- 228.06662 164.8
[M+Na-2H]- 250.04857 162.8
[M]+ 229.07335 159.7
[M]- 229.07445 159.7
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.