CID 13725256

Sodium 5-phenyl-1,3-oxazole-2-carboxylate

Structural Information

Molecular Formula
C10H7NO3
SMILES
C1=CC=C(C=C1)C2=CN=C(O2)C(=O)O
InChI
InChI=1S/C10H7NO3/c12-10(13)9-11-6-8(14-9)7-4-2-1-3-5-7/h1-6H,(H,12,13)
InChIKey
YULGUYOVJXOPLU-UHFFFAOYSA-N
Compound name
5-phenyl-1,3-oxazole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

123
Patents

189.04259 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.04987 137.6
[M+Na]+ 212.03181 150.6
[M+NH4]+ 207.07641 145.2
[M+K]+ 228.00575 147.5
[M-H]- 188.03531 140.9
[M+Na-2H]- 210.01726 144.9
[M]+ 189.04204 140.3
[M]- 189.04314 140.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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