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

1452
Patents

113.01129 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.018566 116.0
[M+Na]+ 136.000508 125.0
[M-H]- 112.004014 118.1
[M+NH4]+ 131.045113 137.0
[M+K]+ 151.974448 125.9
[M+H-H2O]+ 96.008550 110.7
[M+HCOO]- 158.009491 139.1
[M+CH3COO]- 172.025141 162.2
[M+Na-2H]- 133.985956 123.8
[M]+ 113.01074142 117.0
[M]- 113.01183858 117.0
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