CID 10798271

Vgx-1027

Structural Information

Molecular Formula
C11H11NO3
SMILES
C1C(ON=C1C2=CC=CC=C2)CC(=O)O
InChI
InChI=1S/C11H11NO3/c13-11(14)7-9-6-10(12-15-9)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,13,14)
InChIKey
MUFJHYRCIHHATF-UHFFFAOYSA-N
Compound name
2-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

31
References

96
Patents

205.0739 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.08118 143.7
[M+Na]+ 228.06312 155.5
[M+NH4]+ 223.10772 151.0
[M+K]+ 244.03706 152.4
[M-H]- 204.06662 146.7
[M+Na-2H]- 226.04857 149.7
[M]+ 205.07335 146.0
[M]- 205.07445 146.0
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