CID 656040

5-methyl-3-(pyridin-4-yl)-1,2-oxazole-4-carboxylic acid

Structural Information

Molecular Formula
C10H8N2O3
SMILES
CC1=C(C(=NO1)C2=CC=NC=C2)C(=O)O
InChI
InChI=1S/C10H8N2O3/c1-6-8(10(13)14)9(12-15-6)7-2-4-11-5-3-7/h2-5H,1H3,(H,13,14)
InChIKey
WHOBCXXYJKABST-UHFFFAOYSA-N
Compound name
5-methyl-3-pyridin-4-yl-1,2-oxazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

9
Patents

204.0535 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.060776 140.6
[M+Na]+ 227.042718 150.3
[M-H]- 203.046224 145.0
[M+NH4]+ 222.087323 156.7
[M+K]+ 243.016658 148.8
[M+H-H2O]+ 187.050760 133.2
[M+HCOO]- 249.051701 161.9
[M+CH3COO]- 263.067351 181.2
[M+Na-2H]- 225.028166 145.9
[M]+ 204.05295142 142.6
[M]- 204.05404858 142.6
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