CID 13081532

10313-27-6

Structural Information

Molecular Formula
C10H9NO3
SMILES
C1C(ON=C1C(=O)O)C2=CC=CC=C2
InChI
InChI=1S/C10H9NO3/c12-10(13)8-6-9(14-11-8)7-4-2-1-3-5-7/h1-5,9H,6H2,(H,12,13)
InChIKey
VRODIKIAQUNGJI-UHFFFAOYSA-N
Compound name
5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2335
Patents

191.05824 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.06552 139.1
[M+Na]+ 214.04746 151.2
[M+NH4]+ 209.09206 146.7
[M+K]+ 230.02140 148.3
[M-H]- 190.05096 142.3
[M+Na-2H]- 212.03291 145.5
[M]+ 191.05769 141.5
[M]- 191.05879 141.5
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