CID 7131950

22086-89-1

Structural Information

Molecular Formula
C11H9NO3
SMILES
C1=CC=C(C=C1)C2=NC(=CO2)CC(=O)O
InChI
InChI=1S/C11H9NO3/c13-10(14)6-9-7-15-11(12-9)8-4-2-1-3-5-8/h1-5,7H,6H2,(H,13,14)
InChIKey
GHGUBEHGXLMGTM-UHFFFAOYSA-N
Compound name
2-(2-phenyl-1,3-oxazol-4-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

89
Patents

203.05824 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.06552 142.2
[M+Na]+ 226.04746 155.0
[M+NH4]+ 221.09206 149.6
[M+K]+ 242.02140 151.7
[M-H]- 202.05096 145.5
[M+Na-2H]- 224.03291 149.1
[M]+ 203.05769 144.8
[M]- 203.05879 144.8
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