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 146.9
[M+Na]+ 252.06312 157.1
[M-H]- 228.06662 156.0
[M+NH4]+ 247.10772 158.5
[M+K]+ 268.03706 154.1
[M+H-H2O]+ 212.07116 139.8
[M+HCOO]- 274.07210 168.9
[M+CH3COO]- 288.08775 159.9
[M+Na-2H]- 250.04857 151.2
[M]+ 229.07335 150.6
[M]- 229.07445 150.6
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.