CID 16340557

Oxazole-5-carboxylic acid

Structural Information

Molecular Formula
C4H3NO3
SMILES
C1=C(OC=N1)C(=O)O
InChI
InChI=1S/C4H3NO3/c6-4(7)3-1-5-2-8-3/h1-2H,(H,6,7)
InChIKey
QCGMEWVZBGQOFN-UHFFFAOYSA-N
Compound name
1,3-oxazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1215
Patents

113.01129 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.01857 117.7
[M+Na]+ 136.00051 128.5
[M+NH4]+ 131.04511 124.9
[M+K]+ 151.97445 127.0
[M-H]- 112.00401 118.2
[M+Na-2H]- 133.98596 122.4
[M]+ 113.01074 119.0
[M]- 113.01184 119.0
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